Chemical ID: 3994132

CC(C)CCN1C(=O)c2ccc(cc2C1=O)C(=O)O
Chemical ID:
3994132
Name [?]:
2-isopentyl-1,3-dioxo-isoindoline-5-carboxylic acid
SMILES [?]:
CC(C)CCN1C(=O)c2ccc(cc2C1=O)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H15NO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.53105
Area:456.536
Solvation:-2.88236
Coulombic:-54.1435
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.273
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.61
LogP (Chemaxon):1.68

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