Chemical ID: 5272210

c1cc2c(cc1O)OC(=Cc3ccncc3)C2=O
Chemical ID:
5272210
Name [?]:
6-hydroxy-2-(4-pyridylmethylene)benzofuran-3-one
SMILES [?]:
c1cc2c(cc1O)OC(=Cc3ccncc3)C2=O
InChi [?]:
InChI=1/C14H9NO3/c16-10-1-2-11-12(8-10)18-13(14(11)17)7-9-3-5-15-6-4-9/h1-8,16H
InChi Info:
AuxInfo=1/0/N:1,2,12,16,13,15,10,5,11,6,3,4,9,17,14,7,18,8/E:(3,4)(5,6)/rA:18nCCCCCCOOCCCCCNCCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;w9;s10;s11;d12;s13;d14;d11s15;s3s9;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.08805
Area:417.104
Solvation:-3.33954
Coulombic:-37.5914
Bond Count [?]
All:20
Single:12
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:239.226
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.97
LogP (Chemaxon):1.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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