Sunscreens [selection]

TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, mammalian (rat/mouse) oral LD50,
Daphnia magna 48-hr LC50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), skin irritation potential,
use TerraQSAR-RMIV, TerraQSAR-OMAR, TerraQSAR-Daphnia, TerraQSAR-FHM, TerraQSAR-E2-RBA, or TerraQSAR-SKIN programs,


NAME CAS FORMULA MWTerraQSAR - LOGP
L-ascorbic acid, 2-(dihydrogenphosphate), trisodium salt 66170-10-3 C6H6Na3O9P 322.05
-1.11
melevodopa 7101-51-1 C10H13NO4 211.22
-0.69
etocrilene 5232-99-5 C12H15NO2 205.26
1.78
5-chloro-2-hydroxybenzophenone 85-19-8 C13H9ClO2 232.67
3.29
ensulizole 27503-81-7 C13H10N2O3S 274.30
1.60
4,4'-dihydroxybenzophenone 611-99-4 C13H10O3 214.22
3.30
phenyl salicylate 118-55-8 C13H10O3 214.22
3.38
resorcinol monobenzoate 136-36-7 C13H10O3 214.22
3.59
benzophenone, 2,2',4,4'-tetrahydroxy- 131-55-5 C13H10O5 246.22
2.56
drometrizole 2440-22-4 C13H11N3O 225.25
2.48
salicylic acid triethanolamine monoester 2174-16-5 C13H19NO5 269.30
2.77
benzyl salicylate 118-58-1 C14H12O3 228.25
2.78
oxybenzone 131-57-7 C14H12O3 228.25
3.79
DHMB; dioxybenzone 131-53-3 C14H12O4 244.25
3.79
sulisobenzone 4065-45-6 C14H12O6S 308.31
3.78
cinoxate 104-28-9 C14H18O4 250.29
2.78
bornelone 2226-11-1 C14H20O 204.31
4.81
padimate 21245-01-2 C14H21NO2 235.33
3.06
mexenone 1641-17-4 C15H14O3 242.27
3.79
benzophenone, 2,2'-dihydroxy-4,4'-dimethoxy- 131-54-4 C15H14O5 274.27
3.78
amiloxate 71617-10-2 C15H20O3 248.32
2.85
octisalate [both enantiomers] 118-60-5 C15H22O3 250.34
2.83
roxadimate 58882-17-0 C15H23NO4 281.35
3.08
tri(1,2-propyleneglycol) diacrylate 42978-66-5 C15H24O6 300.35
1.47
homosalate 118-56-9 C16H22O3 262.35
2.81
bumetrizole 3896-11-5 C17H18ClN3O 315.81
2.42
menthyl salicylate 89-46-3 C17H24O3 276.38
2.81
2-ethylhexyl N,N-dimethyl-4-aminobenzoic acid 21245-02-3 C17H27NO2 277.41
3.48
Eusolex 8021 63250-25-9 C18H18O2 266.34
2.89
3-(4-methylbenzylidene)camphor; Eusolex 6300 38102-62-4 C18H22O 254.37
2.71
enzacamene (+/-) 36861-47-9 C18H22O 254.37
2.71
octinoxate [both entiomers] 5466-77-3 C18H26O3 290.40
2.80
4-tert-butyl-4'-methoxydibenzoylmethane 70356-09-1 C20H22O3 310.39
3.22
2-(2'-hydroxy-3,5'-di-tert-butylphenyl)-5-chlorobenzotriazole 3864-99-1 C20H24ClN3O 357.89
5.20
octrizole 3147-75-9 C20H25N3O 323.44
3.65
octabenzone 1843-05-6 C21H26O3 326.43
3.78
timobesone 87116-72-1 C22H29FO4S 408.53
2.10
tipredane 85197-77-9 C22H31FO2S2 410.61
3.31
octocrilene; octocrylene 6197-30-4 C24H27NO2 361.48
3.47
timobesone acetate 79578-14-6 C24H31FO5S 450.57
3.11
drometrizole trisiloxane 155633-54-8 C24H39N3O3Si3 501.85
4.91
ecamsule 92761-26-7 C28H34O8S2 562.70
5.94
bemotrizinol; Tinosorb S 187393-00-6 C38H49N3O5 627.83
4.12
bisoctrizole; Tinosorb M-active 103597-45-1 C41H50N6O2 658.89
6.20
octyl-triazone 88122-99-0 C48H66N6O6 823.09
3.10


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