Chemical ID: 3843475

Cn1c(nnc1SCC(=O)O)c2ccc(cc2)O
Chemical ID:
3843475
Name [?]:
2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
SMILES [?]:
Cn1c(nnc1SCC(=O)O)c2ccc(cc2)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H11N3O3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.66142
Area:444.495
Solvation:-3.45094
Coulombic:-54.2601
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:265.289
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.77
LogP (Chemaxon):1.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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