Molecule

ID:26192

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₂
Molecular Mass
238.28116
Exact Mass
238.09937969
Charge
0
InChI
InChI=1S/C16H14O2/c17-13-15-10-4-5-11-16(15)18-12-6-9-14-7-2-1-3-8-14/h1-11,13H,12H2/b9-6+
InChIKey
ZDEVBWDPWMNWHA-RMKNXTFCSA-N
Canonic Smiles
O=Cc1ccccc1OC/C=C/c1ccccc1
Isomeric Smiles
c1(c(OC/C=C/c2ccccc2)cccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8624656
LogD (pH = 7.4)
3.8624656
Log P
3.8624656
Molar Refractivity
74.0364
Polarizability
27.879953
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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