Molecule

ID:5363

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₂
Molecular Mass
166.21696
Exact Mass
166.09937969
Charge
0
InChI
InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
InChIKey
BGNXCDMCOKJUMV-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)C(C)(C)C)O
Isomeric Smiles
CC(C)(C)c1cc(O)ccc1O
Calculated Properties
JChem
LogD (pH = 7.4)
2.91
LogD (pH = 5.5)
2.91
Log P
2.91
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.94
Polar Surface Area
40.46
Polarizability
18.39
Molar Refractivity
48.69
LOG S
-2.02
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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