Chemical ID: 4530196

CCCCOc1ccc(cc1C(=O)O)[N+](=O)[O-]
Chemical ID:
4530196
Name [?]:
2-butoxy-5-nitro-benzoic acid
SMILES [?]:
CCCCOc1ccc(cc1C(=O)O)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H13NO5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:1.75742
Area:431.793
Solvation:-9.0374
Coulombic:-43.911
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:239.225
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.67
LogP (Chemaxon):2.47

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