Molecule

ID:83777

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₂
Molecular Mass
238.28116
Exact Mass
238.09937969
Charge
0
InChI
InChI=1S/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3
InChIKey
XUFXKBJMCRJATM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/C(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)/C=C/c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
17.080511
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
27.875494
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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