Chemical ID: 4122339

CC(C)CN1Cc2cccc(c2C1=O)C(=O)O
Chemical ID:
4122339
Name [?]:
2-isobutyl-3-oxo-isoindoline-4-carboxylic acid
SMILES [?]:
CC(C)CN1Cc2cccc(c2C1=O)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H15NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.9382
Area:397.577
Solvation:-3.00122
Coulombic:-44.1935
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.263
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.95
LogP (Chemaxon):1.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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