Molecule

ID:2633

General Information
Structure
Molecular Formula
C₁₂H₁₀O₂
Molecular Mass
186.2066
Exact Mass
186.06807956
Charge
0
InChI
InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H
InChIKey
YKOQAAJBYBTSBS-UHFFFAOYSA-N
Canonic Smiles
Oc1c(O)cccc1c1ccccc1
Isomeric Smiles
c1c(c(c(cc1)O)O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.01
LogD (pH = 5.5)
3.01
Log P
3.01
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.15
Polar Surface Area
40.46
Polarizability
19.68
Molar Refractivity
55.16
LOG S
-3.01
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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