Molecule

ID:134799

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O
Molecular Mass
122.1644
Exact Mass
122.07316494
Charge
0
InChI
InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
InChIKey
TUAMRELNJMMDMT-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)cc(c1)O
Isomeric Smiles
c1c(cc(cc1C)O)C
Calculated Properties
JChem
Acid pKa
10.252546
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6965156
LogD (pH = 7.4)
2.6959171
Log P
2.6965232
Molar Refractivity
38.1213
Polarizability
14.486812
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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