Molecule

ID:109326

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O
Molecular Mass
170.2072
Exact Mass
170.07316494
Charge
0
InChI
InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H
InChIKey
UBXYXCRCOKCZIT-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)c1ccccc1
Isomeric Smiles
Oc1cccc(c1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.32
LogD (pH = 5.5)
3.32
Log P
3.32
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.83
Polar Surface Area
20.23
Polarizability
18.92
Molar Refractivity
53.18
LOG S
-3.41
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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