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Chemical ID: 7051682
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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Experimental Annotations
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Descriptor Annotations
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