Molecule

ID:80435

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₂
Molecular Mass
238.28116
Exact Mass
238.09937969
Charge
0
InChI
InChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3
InChIKey
KJHHAPASNNVTSN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/c1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1)OC)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
17.089096
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.732654
LogD (pH = 7.4)
3.732654
Log P
3.732654
Molar Refractivity
73.3402
Polarizability
27.875767
Polar Surface Area
26.3
Rotatable Bonds
4
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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