Molecule

ID:79474

General Information
Structure
Loading...
Molecular Formula
C₁₄H₂₀O₂
Molecular Mass
220.3074
Exact Mass
220.14632988
Charge
0
InChI
InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3
InChIKey
RDQSIADLBQFVMY-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
Isomeric Smiles
O=C1C(=CC(=O)C=C1C(C)(C)C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8784845
LogD (pH = 7.4)
3.8784845
Log P
3.8784845
Molar Refractivity
66.9924
Polarizability
25.450914
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...