Molecule

ID:110050

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O
Molecular Mass
158.1965
Exact Mass
158.07316494
Charge
0
InChI
InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKey
LUZDYPLAQQGJEA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)cccc2
Isomeric Smiles
COc1ccc2ccccc2c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8050513
LogD (pH = 7.4)
2.8050513
Log P
2.8050513
Molar Refractivity
48.9714
Polarizability
20.469223
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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