Molecule

ID:89158

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O
Molecular Mass
170.2072
Exact Mass
170.07316494
Charge
0
InChI
InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
InChIKey
USIUVYZYUHIAEV-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)Oc1ccccc1
Isomeric Smiles
O(c1ccccc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.47
LogD (pH = 5.5)
3.47
Log P
3.47
Rotatable Bonds
2
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
-3.69
Polar Surface Area
9.23
Polarizability
18.36
Molar Refractivity
52.30
LOG S
-3.42
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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