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Chemical ID: 7326128

Chemical ID:

7326128

Name [?]:

7-hydroxy-8-methyl-4-[(4-methyl-1-piperidyl)methyl]chromen-2-one

SMILES [?]:

Cc1c(ccc2c1oc(=O)cc2CN3CCC(CC3)C)O

InChi [?]:

InChI=1/C17H21NO3/c1-11-5-7-18(8-6-11)10-13-9-16(20)21-17-12(2)15(19)4-3-14(13)17/h3-4,9,11,19H,5-8,10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:20,1,5,4,16,18,15,19,11,13,17,2,12,6,3,9,7,14,21,10,8/E:(5,6)(7,8)/rA:21nCCCCCCCOCOCCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s14;s15;s16;s17;s14s18;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₁NO₃
All Atoms:	42
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.77797
Area:	475.444
Solvation:	-3.10812
Coulombic:	-39.8024

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	287.354
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.64
LogP (Chemaxon):	3.24

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