Chemical ID: 4701966

CC(C)CC(C(=O)OC)N1Cc2ccccc2C1=O
Chemical ID:
4701966
Name [?]:
methyl 4-methyl-2-(1-oxoisoindolin-2-yl)-pentanoate
SMILES [?]:
CC(C)CC(C(=O)OC)N1Cc2ccccc2C1=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H19NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.31253
Area:453.298
Solvation:-3.01992
Coulombic:-37.8033
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:261.316
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.92
LogP (Chemaxon):2.23

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