Molecule

ID:110006

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉NO₂
Molecular Mass
223.22676
Exact Mass
223.06332853
Charge
0
InChI
InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
InChIKey
HTTLBYITFHMYFK-UHFFFAOYSA-N
Canonic Smiles
O=c1oc(nc2c1cccc2)c1ccccc1
Isomeric Smiles
O=c1oc(nc2ccccc12)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3567755
LogD (pH = 7.4)
3.3567755
Log P
3.3567755
Molar Refractivity
66.1106
Polarizability
24.297188
Polar Surface Area
38.66
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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