Molecule

ID:127458

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈O₂
Molecular Mass
196.20142
Exact Mass
196.0524295
Charge
0
InChI
InChI=1S/C13H8O2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8H
InChIKey
FRIPRWYKBIOZJU-UHFFFAOYSA-N
Canonic Smiles
O=c1ccc2c(c1)oc1c(c2)cccc1
Isomeric Smiles
O=c1ccc2cc3c(oc2c1)cccc3
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.22578
LogD (pH = 7.4)
2.22578
Log P
2.22578
Molar Refractivity
60.6228
Polarizability
21.8602
Polar Surface Area
26.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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