Molecule

ID:107858

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O
Molecular Mass
150.21756
Exact Mass
150.10446507
Charge
0
InChI
InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKey
RIWRBSMFKVOJMN-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccccc1)(O)C
Isomeric Smiles
CC(C)(O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.284277
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.191709
LogD (pH = 7.4)
2.191709
Log P
2.191709
Molar Refractivity
46.6859
Polarizability
18.256647
Polar Surface Area
20.23
Rotatable Bonds
2
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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