Molecule

ID:74234

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₂
Molecular Mass
186.2066
Exact Mass
186.06807956
Charge
0
InChI
InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
InChIKey
ZSBDGXGICLIJGD-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
Oc1ccc(cc1)Oc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.17
LogD (pH = 5.5)
3.17
Log P
3.17
Rotatable Bonds
2
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.70
Polar Surface Area
29.46
Polarizability
19.36
Molar Refractivity
54.28
LOG S
-3.02
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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