ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6479259

Chemical ID:

6479259

Name [?]:

1-(6-methoxy-3-pyridyl)-2,6-dimethyl-6,7-dihydro-5H-indol-4-one

SMILES [?]:

Cc1cc2c(n1c3ccc(nc3)OC)CC(CC2=O)C

InChi [?]:

InChI=1/C16H18N2O2/c1-10-6-14-13(15(19)7-10)8-11(2)18(14)12-4-5-16(20-3)17-9-12/h4-5,8-10H,6-7H2,1-3H3

InChi Info:

AuxInfo=1/0/N:20,1,14,8,9,15,17,3,12,16,2,7,4,5,18,10,11,6,19,13/rA:20cCCCCCNCCCCNCOCCCCCOC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s5;s15;s16;s4s17;d18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₈N₂O₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	8.4263
Area:	457.692
Solvation:	-3.01599
Coulombic:	-26.1709

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	270.326
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.63
LogP (Chemaxon):	1.71

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