Chemical ID: 5761288

Cc1ccc(cc1)C(=O)CC(C(=O)O)NCCc2c[nH]c3c2cccc3
Chemical ID:
5761288
Name [?]:
2-[2-(1H-indol-3-yl)ethylamino]-4-oxo-4-(p-tolyl)butanoic acid
SMILES [?]:
Cc1ccc(cc1)C(=O)CC(C(=O)O)NCCc2c[nH]c3c2cccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.0188
Area:588.333
Solvation:-3.6895
Coulombic:-55.6321
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:350.411
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.17
LogP (Chemaxon):1.22

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