Chemical ID: 6240245

COc1ccc(cc1)c2c(n3ccccc3n2)NC(=O)c4ccc(c(c4)[N+](=O)[O-])Cl
Chemical ID:
6240245
Name [?]:
4-chloro-N-[8-(4-methoxyphenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]-3-nitro-benzamide
SMILES [?]:
COc1ccc(cc1)c2c(n3ccccc3n2)NC(=O)c4ccc(c(c4)[N+](=O)[O-])Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H15ClN4O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:4.74876
Area:620.92
Solvation:-10.7743
Coulombic:-49.7236
Bond Count [?]
All:33
Single:21
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:422.821
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.71
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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