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Chemical ID: 5466593
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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