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Chemical ID: 5433491
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
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Experimental Annotations
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Descriptor Annotations
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