Chemical ID: 7051682

Cc1ccc2c(c1)C(=O)C(=O)N2CC(=O)OCCC(C)C
Chemical ID:
7051682
Name [?]:
isopentyl 2-(5-methyl-2,3-dioxo-indolin-1-yl)acetate
SMILES [?]:
Cc1ccc2c(c1)C(=O)C(=O)N2CC(=O)OCCC(C)C
InChi [?]:
InChI=1/C16H19NO4/c1-10(2)6-7-21-14(18)9-17-13-5-4-11(3)8-12(13)15(19)16(17)20/h4-5,8,10H,6-7,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:20,21,1,3,4,18,17,7,13,19,2,6,5,14,8,10,12,15,9,11,16/E:(1,2)/rA:21nCCCCCCCCOCONCCOOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s10;s12;s13;d14;s14;s16;s17;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO4
All Atoms:40
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.41226
Area:509.301
Solvation:-3.32026
Coulombic:-46.6148
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.326
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.72
LogP (Chemaxon):2.46

Name Annotations

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Descriptor Annotations

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