Chemical ID: 3991086

Cc1ccc2c(c1C)NC(=O)C2=O
Chemical ID:
3991086
Name [?]:
6,7-dimethylindoline-2,3-dione
SMILES [?]:
Cc1ccc2c(c1C)NC(=O)C2=O
InChi [?]:
InChI=1/C10H9NO2/c1-5-3-4-7-8(6(5)2)11-10(13)9(7)12/h3-4H,1-2H3,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,2,7,5,6,12,10,9,13,11/rA:13nCCCCCCCCNCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s5s10;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.22886
Area:330.736
Solvation:-2.03954
Coulombic:-31.5076
Bond Count [?]
All:14
Single:9
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:175.184
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.25
LogP (Chemaxon):2.05

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Descriptor Annotations

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