Chemical ID: 5433491

Cc1cccc2c1N(C(=O)C2=O)CC(=O)OC(C)C
Chemical ID:
5433491
Name [?]:
isopropyl 2-(7-methyl-2,3-dioxo-indolin-1-yl)acetate
SMILES [?]:
Cc1cccc2c1N(C(=O)C2=O)CC(=O)OC(C)C
InChi [?]:
InChI=1/C14H15NO4/c1-8(2)19-11(16)7-15-12-9(3)5-4-6-10(12)13(17)14(15)18/h4-6,8H,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:18,19,1,4,3,5,13,17,2,6,14,7,11,9,8,15,12,10,16/E:(1,2)/rA:19nCCCCCCCNCOCOCCOOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s9;d11;s8;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:7.89803
Area:443.401
Solvation:-3.18701
Coulombic:-45.9594
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:1.54
LogP (Chemaxon):1.68

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue