Molecule

ID:70040

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O
Molecular Mass
196.24448
Exact Mass
196.088815
Charge
0
InChI
InChI=1S/C14H12O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2
InChIKey
XXSCONYSQQLHTH-UHFFFAOYSA-N
Canonic Smiles
OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C1(c2ccccc2c2ccccc12)CO
Calculated Properties
JChem
Acid pKa
15.227866
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6673136
LogD (pH = 7.4)
2.6673136
Log P
2.6673136
Molar Refractivity
61.2737
Polarizability
24.88023
Polar Surface Area
20.23
Rotatable Bonds
1
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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