Molecule

ID:10746

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O
Molecular Mass
158.1965
Exact Mass
158.07316494
Charge
0
InChI
InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2
InChIKey
MFGWMAAZYZSWMY-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc2c(c1)cccc2
Isomeric Smiles
c1ccc2c(c1)cc(cc2)CO
Calculated Properties
JChem
LogD (pH = 7.4)
2.20
LogD (pH = 5.5)
2.20
Log P
2.20
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
14.96
Polar Surface Area
20.23
Polarizability
17.75
Molar Refractivity
49.32
LOG S
-2.81
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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