Chemical ID: 6158659

c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2nc3c(s2)CCC3
Chemical ID:
6158659
Name [?]:
3-nitro-N-(6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl)benzamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2nc3c(s2)CCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H11N3O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.93
Area:476.582
Solvation:-7.98455
Coulombic:-37.0694
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.311
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.54
LogP (Chemaxon):2.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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