Molecule

ID:106768

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂O₂
Molecular Mass
200.23318
Exact Mass
200.08372962
Charge
0
InChI
InChI=1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2
InChIKey
MQCPOLNSJCWPGT-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1Cc1ccccc1O
Isomeric Smiles
Oc1ccccc1Cc1ccccc1O
Calculated Properties
JChem
Acid pKa
8.249371
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.457141
LogD (pH = 7.4)
3.400695
Log P
3.457909
Molar Refractivity
59.757
Polarizability
22.903454
Polar Surface Area
40.46
Rotatable Bonds
2
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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