Molecule

ID:135363

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O
Molecular Mass
123.15705484
Exact Mass
123.07651978
Charge
0
InChI
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/i1+1
InChIKey
WAPNOHKVXSQRPX-OUBTZVSYSA-N
Canonic Smiles
[13CH3]C(c1ccccc1)O
Isomeric Smiles
[13CH3]C(c1ccccc1)O
Calculated Properties
JChem
Acid pKa
14.807494
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6224711
LogD (pH = 7.4)
1.6224711
Log P
1.6224711
Molar Refractivity
37.2927
Polarizability
14.639806
Polar Surface Area
20.23
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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