Molecule

ID:112424

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂O₂
Molecular Mass
222.32328
Exact Mass
222.16197994
Charge
0
InChI
InChI=1S/C14H22O2/c1-9-10(2)14(8-16-6)12(4)11(3)13(9)7-15-5/h7-8H2,1-6H3
InChIKey
NMPFIRUDZAAOCU-UHFFFAOYSA-N
Canonic Smiles
COCc1c(C)c(C)c(c(c1C)C)COC
Isomeric Smiles
COCc1c(C)c(C)c(COC)c(C)c1C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7784848
LogD (pH = 7.4)
3.7784848
Log P
3.7784848
Molar Refractivity
69.357
Polarizability
26.130228
Polar Surface Area
18.46
Rotatable Bonds
4
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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