Molecule

ID:67587

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₂
Molecular Mass
238.28116
Exact Mass
238.09937969
Charge
0
InChI
InChI=1S/C16H14O2/c1-11-7-8-15-14(9-11)13(10-16(17)18-15)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3
InChIKey
SUHIZPDCJOQZLN-UHFFFAOYSA-N
Canonic Smiles
O=C1Oc2ccc(cc2C(C1)c1ccccc1)C
Isomeric Smiles
C1(=O)CC(c2cc(ccc2O1)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8204138
LogD (pH = 7.4)
3.8204138
Log P
3.8204138
Molar Refractivity
70.1401
Polarizability
27.23177
Polar Surface Area
26.3
Rotatable Bonds
1
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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