Chemical ID: 4732091

CNCc1cccc(c1)[N+](=O)[O-]
Chemical ID:
4732091
Name [?]:
N-[(3-nitrophenyl)methyl]methanamine
SMILES [?]:
CNCc1cccc(c1)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C8H10N2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:2.11151
Area:339.581
Solvation:-6.37802
Coulombic:-21.533
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:166.177
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.3
LogP (Chemaxon):1.53

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