Chemical ID: 4663229

CN1c2ccccc2C(=O)C1=O
Chemical ID:
4663229
Name [?]:
1-methylindoline-2,3-dione
SMILES [?]:
CN1c2ccccc2C(=O)C1=O
InChi [?]:
InChI=1/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,8,3,9,11,2,10,12/rA:12nCNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s2s9;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.76817
Area:313.361
Solvation:-2.06586
Coulombic:-27.6658
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:161.157
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.73
LogP (Chemaxon):0.88

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Experimental Annotations

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Descriptor Annotations

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