Molecule

ID:52905

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂O
Molecular Mass
184.23378
Exact Mass
184.088815
Charge
0
InChI
InChI=1S/C13H12O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKey
AXCHZLOJGKSWLV-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1ccc(cc1)c1ccc(cc1)CO
Calculated Properties
JChem
Acid pKa
14.995406
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8531215
LogD (pH = 7.4)
2.8531213
Log P
2.8531215
Molar Refractivity
58.0101
Polarizability
23.869638
Polar Surface Area
20.23
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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