Chemical ID: 4168517

c1cc(c(cc1C(=O)O)[N+](=O)[O-])NCCCO
Chemical ID:
4168517
Name [?]:
4-(3-hydroxypropylamino)-3-nitro-benzoic acid
SMILES [?]:
c1cc(c(cc1C(=O)O)[N+](=O)[O-])NCCCO
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H12N2O5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:1.98173
Area:433.38
Solvation:-8.85275
Coulombic:-66.6315
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:240.213
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.56
LogP (Chemaxon):1.35

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