Molecule

ID:1948

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O
Molecular Mass
122.1644
Exact Mass
122.07316494
Charge
0
InChI
InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
WRMNZCZEMHIOCP-UHFFFAOYSA-N
Canonic Smiles
OCCc1ccccc1
Isomeric Smiles
OCCc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.49
LogD (pH = 5.5)
1.49
Log P
1.49
Rotatable Bonds
2
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
15.88
Polar Surface Area
20.23
Polarizability
13.87
Molar Refractivity
37.63
LOG S
-0.93
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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