Molecule

ID:67662

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂O
Molecular Mass
184.23378
Exact Mass
184.088815
Charge
0
InChI
InChI=1S/C13H12O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2
InChIKey
JKFDELMIGLPLAX-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)Cc1ccccc1
Isomeric Smiles
c1(cc(ccc1)Cc1ccccc1)O
Calculated Properties
JChem
Acid pKa
10.037868
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.761462
LogD (pH = 7.4)
3.7604816
Log P
3.7614746
Molar Refractivity
57.7761
Polarizability
22.338469
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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