Chemical ID: 4122338

CN1Cc2cccc(c2C1=O)C(=O)O
Chemical ID:
4122338
Name [?]:
2-methyl-3-oxo-isoindoline-4-carboxylic acid
SMILES [?]:
CN1Cc2cccc(c2C1=O)C(=O)O
InChi [?]:
InChI=1/C10H9NO3/c1-11-5-6-3-2-4-7(10(13)14)8(6)9(11)12/h2-4H,5H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,3,4,8,9,10,12,2,11,13,14/E:(13,14)/rA:14nCNCCCCCCCCOCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;d10;s8;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.36339
Area:339.131
Solvation:-3.11488
Coulombic:-43.2829
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:191.183
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.87
LogP (Chemaxon):0.44

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Descriptor Annotations

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