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Chemical ID: 7313469

Chemical ID:

7313469

Name [?]:

1-indolin-1-yl-2-(2,4,6-trimethylphenoxy)-ethanone

SMILES [?]:

Cc1cc(c(c(c1)C)OCC(=O)N2CCc3c2cccc3)C

InChi [?]:

InChI=1/C19H21NO2/c1-13-10-14(2)19(15(3)11-13)22-12-18(21)20-9-8-16-6-4-5-7-17(16)20/h4-7,10-11H,8-9,12H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,8,22,20,19,21,18,15,14,7,3,10,2,6,4,16,17,11,5,13,12,9/E:(2,3)(10,11)(14,15)/rA:22nCCCCCCCCOCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s15;s13s16;d17;s18;d19;d16s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁NO₂
All Atoms:	43
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.09027
Area:	499.661
Solvation:	-3.40126
Coulombic:	-24.9596

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	295.376
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.55
LogP (Chemaxon):	4.03

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value