Molecule

ID:135590

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₄O₂
Molecular Mass
274.31326
Exact Mass
274.09937969
Charge
0
InChI
InChI=1S/C19H14O2/c20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13,20H
InChIKey
CVZUPKFPOSRRSK-UHFFFAOYSA-N
Canonic Smiles
OC1(c2ccccc2)c2ccccc2Oc2c1cccc2
Isomeric Smiles
c1ccc(cc1)C1(c2ccccc2Oc2c1cccc2)O
Calculated Properties
JChem
Acid pKa
12.291537
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.1654196
LogD (pH = 7.4)
4.165414
Log P
4.1654196
Molar Refractivity
83.4943
Polarizability
31.99764
Polar Surface Area
29.46
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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