Chemical ID: 4692149

COC(=O)c1ccccc1Sc2c(nccn2)C#N
Chemical ID:
4692149
Name [?]:
methyl 2-(3-cyanopyrazin-2-yl)sulfanylbenzoate
SMILES [?]:
COC(=O)c1ccccc1Sc2c(nccn2)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H9N3O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.4161
Area:443.008
Solvation:-2.65909
Coulombic:-35.4458
Bond Count [?]
All:20
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:271.296
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.03
LogP (Chemaxon):2.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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