Molecule

ID:58453

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O
Molecular Mass
196.24448
Exact Mass
196.088815
Charge
0
InChI
InChI=1S/C14H12O/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11,15H/b10-9+
InChIKey
XBHJTSIYYWRJFQ-MDZDMXLPSA-N
Canonic Smiles
Oc1cccc(c1)/C=C/c1ccccc1
Isomeric Smiles
c1ccc(cc1O)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
9.4194565
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.0094695
LogD (pH = 7.4)
4.005413
Log P
4.0095215
Molar Refractivity
63.4937
Polarizability
24.19069
Polar Surface Area
20.23
Rotatable Bonds
2
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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