Chemical ID: 5325296

Cc1ccc(c(c1NC(=O)C)[N+](=O)[O-])C(=O)[O-]
Chemical ID:
5325296
Name [?]:
3-acetamido-4-methyl-2-nitro-benzoate
SMILES [?]:
Cc1ccc(c(c1NC(=O)C)[N+](=O)[O-])C(=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H9N2O5-
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-45.0533
Area:380.568
Solvation:-54.5675
Coulombic:-21.3562
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:237.189
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.05
LogP (Chemaxon):0.66

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