Chemical ID: 4083999

c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)O
Chemical ID:
4083999
Name [?]:
3-(1,3-dioxoisoindolin-2-yl)propanoic acid
SMILES [?]:
c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H9NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.79854
Area:391.487
Solvation:-2.98863
Coulombic:-52.0824
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:219.193
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.67
LogP (Chemaxon):0.35

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