Molecule

ID:4198

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂O₂
Molecular Mass
222.32328
Exact Mass
222.16197994
Charge
0
InChI
InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
InChIKey
JZODKRWQWUWGCD-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc(O)c(cc1O)C(C)(C)C)(C)C
Isomeric Smiles
Oc1c(cc(O)c(c1)C(C)(C)C)C(C)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
4.46
LogD (pH = 5.5)
4.46
Log P
4.46
Rotatable Bonds
2
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.36
Polar Surface Area
40.46
Polarizability
26.29
Molar Refractivity
67.35
LOG S
-3.46
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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