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Chemical ID: 4147633
Chemical ID:
4147633
Name [?]:
5-methylindoline-2,3-dione
SMILES [?]:
Cc1ccc2c(c1)C(=O)C(=O)N2
InChi [?]:
InChI=1/C9H7NO2/c1-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,2,6,5,8,10,12,9,11/rA:12nCCCCCCCCOCON/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.795 |
Area: | 314.107 |
Solvation: | -2.05768 |
Coulombic: | -31.5644 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 161.157 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.02 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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