Molecule

ID:109016

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈O₂
Molecular Mass
220.22282
Exact Mass
220.0524295
Charge
0
InChI
InChI=1S/C15H8O2/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(17-15)14(10)13(9)11/h1-8H
InChIKey
SJXDHZGVKPNCHK-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2cccc3c2c2c1cccc2cc3
Isomeric Smiles
O=c1oc2c3c(ccc4c3c1ccc4)ccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2570555
LogD (pH = 7.4)
3.2570555
Log P
3.2570555
Molar Refractivity
64.7033
Polarizability
27.3049
Polar Surface Area
26.3
Rotatable Bonds
0
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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