Molecule

ID:70108

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₂
Molecular Mass
138.1638
Exact Mass
138.06807956
Charge
0
InChI
InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
InChIKey
ABDKAPXRBAPSQN-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC
Isomeric Smiles
c1(c(cccc1)OC)OC
Calculated Properties
JChem
LogD (pH = 7.4)
1.66
LogD (pH = 5.5)
1.66
Log P
1.66
Rotatable Bonds
2
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-4.59
Polar Surface Area
18.46
Polarizability
14.66
Molar Refractivity
38.98
LOG S
-1.42
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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