Chemical ID: 6731213

CC1(CC(=O)c2cc(ccc2O1)O)c3ccc[nH+]c3
Chemical ID:
6731213
Name [?]:
6-hydroxy-2-methyl-2-(1H-pyridin-5-yl)chroman-4-one
SMILES [?]:
CC1(CC(=O)c2cc(ccc2O1)O)c3ccc[nH+]c3
InChi [?]:
InChI=1/C15H13NO3/c1-15(10-3-2-6-16-9-10)8-13(18)12-7-11(17)4-5-14(12)19-15/h2-7,9,17H,8H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,16,15,9,10,17,7,3,19,14,8,6,4,11,2,18,13,5,12/rA:19cCCCCOCCCCCCOOCCCCN+C/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s8;s2;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14NO3+
All Atoms:33
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:-25.9947
Area:420.899
Solvation:-36.5172
Coulombic:-21.7473
Bond Count [?]
All:21
Single:14
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:256.277
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.66
LogP (Chemaxon):1.32

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