Chemical ID: 4505228

c1ccc(c(c1)NC(=O)C2CC(=O)n3c(ncn3)N2)Cl
Chemical ID:
4505228
Name [?]:
N-(2-chlorophenyl)-2-oxo-1,5,7,9-tetrazabicyclo[4.3.0]nona-6,8-diene-4-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)C2CC(=O)n3c(ncn3)N2)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H10ClN5O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.73389
Area:461.218
Solvation:-3.79656
Coulombic:-52.3293
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:291.693
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.72
LogP (Chemaxon):1.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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