Molecule

ID:78359

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂O
Molecular Mass
136.19098
Exact Mass
136.088815
Charge
0
InChI
InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChIKey
BDCFWIDZNLCTMF-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)(O)C
Isomeric Smiles
OC(c1ccccc1)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.90
LogD (pH = 5.5)
1.90
Log P
1.90
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
14.60
Polar Surface Area
20.23
Polarizability
15.61
Molar Refractivity
41.93
LOG S
-1.43
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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