Molecule

ID:110694

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O
Molecular Mass
122.1644
Exact Mass
122.07316494
Charge
0
InChI
InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3
InChIKey
QWBBPBRQALCEIZ-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C)cccc1O
Isomeric Smiles
Cc1c(C)c(O)ccc1
Calculated Properties
JChem
Acid pKa
10.481443
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6965187
LogD (pH = 7.4)
2.6961653
Log P
2.6965232
Molar Refractivity
38.1213
Polarizability
14.471624
Polar Surface Area
20.23
Rotatable Bonds
0
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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