Molecule

ID:10305

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)12-9-6-4-8(11)5-7-9/h4-7,11H,1-3H3
InChIKey
CIICLJLSRUHUBY-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)O)(C)C
Isomeric Smiles
c1c(ccc(c1)O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
9.9117775
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.565952
LogD (pH = 7.4)
2.5646415
Log P
2.565969
Molar Refractivity
48.3077
Polarizability
18.972652
Polar Surface Area
29.46
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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