Molecule

ID:69992

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O
Molecular Mass
208.25518
Exact Mass
208.088815
Charge
0
InChI
InChI=1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2
InChIKey
JCJNNHDZTLRSGN-UHFFFAOYSA-N
Canonic Smiles
OCc1c2ccccc2cc2c1cccc2
Isomeric Smiles
c1cccc2cc3ccccc3c(c12)CO
Calculated Properties
JChem
Acid pKa
15.277145
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1848495
LogD (pH = 7.4)
3.1848495
Log P
3.1848495
Molar Refractivity
65.7743
Polarizability
28.062937
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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