Chemical ID: 6937311

c1ccc(c(c1)C#N)NC(=O)c2ccc(cc2[N+](=O)[O-])Cl
Chemical ID:
6937311
Name [?]:
4-chloro-N-(2-cyanophenyl)-2-nitro-benzamide
SMILES [?]:
c1ccc(c(c1)C#N)NC(=O)c2ccc(cc2[N+](=O)[O-])Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H8ClN3O3
All Atoms:29
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.23779
Area:485.795
Solvation:-8.90709
Coulombic:-33.5102
Bond Count [?]
All:22
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.684
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.54
LogP (Chemaxon):3.39

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue