Chemical ID: 3996777

CCn1c(nnc1SCC(=O)O)c2ccccc2C
Chemical ID:
3996777
Name [?]:
2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
SMILES [?]:
CCn1c(nnc1SCC(=O)O)c2ccccc2C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H15N3O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.25819
Area:466.49
Solvation:-2.40407
Coulombic:-39.6877
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.343
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.03
LogP (Chemaxon):2.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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