Chemical ID: 5610902

Cc1cccc2c1N(C(=O)C2=O)CCC(=O)C
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

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Descriptor Annotations

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