Chemical ID: 5847274

c1cc(ccc1CCNC(=O)CCC(=O)O)Cl
Chemical ID:
5847274
Name [?]:
4-[2-(4-chlorophenyl)ethylamino]-4-oxo-butanoic acid
SMILES [?]:
c1cc(ccc1CCNC(=O)CCC(=O)O)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H14ClNO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.87678
Area:470.572
Solvation:-2.88752
Coulombic:-46.7318
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:255.697
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.57
LogP (Chemaxon):1.55

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