Chemical ID: 5678217

c1ccc2c(c1)[nH]c(n2)C(=Cc3ccc(s3)N(=O)=O)C#N
Chemical ID:
5678217
Name [?]:
2-(1H-benzoimidazol-2-yl)-3-(5-nitro-2-thienyl)-prop-2-enenitrile
SMILES [?]:
c1ccc2c(c1)[nH]c(n2)C(=Cc3ccc(s3)N(=O)=O)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H8N4O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.39923
Area:474.121
Solvation:-8.45379
Coulombic:-32.3053
Bond Count [?]
All:23
Single:13
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:296.305
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.1
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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