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Chemical ID: 7051713

Chemical ID:

7051713

Name [?]:

pentyl 2-(7-methyl-2,3-dioxo-indolin-1-yl)acetate

SMILES [?]:

CCCCCOC(=O)CN1c2c(cccc2C(=O)C1=O)C

InChi [?]:

InChI=1/C16H19NO4/c1-3-4-5-9-21-13(18)10-17-14-11(2)7-6-8-12(14)15(19)16(17)20/h6-8H,3-5,9-10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,2,3,4,14,13,15,5,9,12,16,7,11,17,19,10,8,18,20,6/rA:21nCCCCCOCOCNCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s17;d19;s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₉NO₄
All Atoms:	40
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.38849
Area:	504.076
Solvation:	-3.2134
Coulombic:	-46.8053

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	289.326
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.58
LogP (Chemaxon):	2.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value