Chemical ID: 3995709

Cc1nnc(n1c2ccccc2)SCC(=O)O
Chemical ID:
3995709
Name [?]:
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
SMILES [?]:
Cc1nnc(n1c2ccccc2)SCC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H11N3O2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.12899
Area:427.35
Solvation:-2.55476
Coulombic:-37.6808
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:249.29
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.02
LogP (Chemaxon):1.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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