Chemical ID: 5027000

CCCOC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Chemical ID:
5027000
Name [?]:
propyl 4-chloro-3-nitro-benzoate
SMILES [?]:
CCCOC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H10ClNO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:3.17059
Area:423.949
Solvation:-7.42814
Coulombic:-30.3635
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:243.643
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.13
LogP (Chemaxon):2.88

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