Chemical ID: 5003147

CCCCCOc1ccc(cc1)C(=O)N2CCCC2C(=O)O
Chemical ID:
5003147
Name [?]:
1-(4-pentoxybenzoyl)pyrrolidine-2-carboxylic acid
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)N2CCCC2C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H23NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.04802
Area:528.635
Solvation:-4.16786
Coulombic:-52.4287
Bond Count [?]
All:23
Single:18
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:305.369
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.39
LogP (Chemaxon):2.6

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