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Chemical ID: 3991086
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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