Chemical ID: 5466593

Cc1ccc2c(c1)C(=O)C(=O)N2CC(=O)OC(C)C
Chemical ID:
5466593
Name [?]:
isopropyl 2-(5-methyl-2,3-dioxo-indolin-1-yl)acetate
SMILES [?]:
Cc1ccc2c(c1)C(=O)C(=O)N2CC(=O)OC(C)C
InChi [?]:
InChI=1/C14H15NO4/c1-8(2)19-12(16)7-15-11-5-4-9(3)6-10(11)13(17)14(15)18/h4-6,8H,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:18,19,1,3,4,7,13,17,2,6,5,14,8,10,12,15,9,11,16/E:(1,2)/rA:19nCCCCCCCCOCONCCOOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s10;s12;s13;d14;s14;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15NO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.1571
Area:456.499
Solvation:-3.25536
Coulombic:-45.8026
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:261.273
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.75
LogP (Chemaxon):1.68

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Descriptor Annotations

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