Molecule

ID:69017

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O
Molecular Mass
122.1644
Exact Mass
122.07316494
Charge
0
InChI
InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
InChIKey
NKTOLZVEWDHZMU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)O)C
Isomeric Smiles
c1(c(ccc(c1)C)C)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.70
LogD (pH = 5.5)
2.70
Log P
2.70
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.47
Polar Surface Area
20.23
Polarizability
13.99
Molar Refractivity
38.12
LOG S
-1.75
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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