Chemical ID: 3956905

Cn1c(nnc1SCc2ccccc2C#N)c3ccccc3O
Chemical ID:
3956905
Name [?]:
2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
SMILES [?]:
Cn1c(nnc1SCc2ccccc2C#N)c3ccccc3O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14N4OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.296
Area:530.398
Solvation:-2.964
Coulombic:-34.1582
Bond Count [?]
All:25
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:322.385
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.82
LogP (Chemaxon):3.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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