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Chemical ID: 5610902
Chemical ID:
5610902
Name [?]:
7-methyl-1-(3-oxobutyl)indoline-2,3-dione
SMILES [?]:
Cc1cccc2c1N(C(=O)C2=O)CCC(=O)C
InChi [?]:
InChI=1/C13H13NO3/c1-8-4-3-5-10-11(8)14(7-6-9(2)15)13(17)12(10)16/h3-5H,6-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,4,3,5,14,13,2,15,6,7,11,9,8,16,12,10/rA:17nCCCCCCCNCOCOCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s9;d11;s8;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.87638 |
Area: | 407.062 |
Solvation: | -3.30016 |
Coulombic: | -33.485 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 231.247 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.76 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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