Molecule

ID:107962

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄O₂
Molecular Mass
224.33916
Exact Mass
224.17763001
Charge
0
InChI
InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3
InChIKey
JZIARAQCPRDGAC-UHFFFAOYSA-N
Canonic Smiles
C=CC(OC(=O)C(C)C)(CCC=C(C)C)C
Isomeric Smiles
CC(C)C(=O)OC(C)(CCC=C(C)C)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.33214
LogD (pH = 7.4)
4.33214
Log P
4.33214
Molar Refractivity
68.5595
Polarizability
26.80818
Polar Surface Area
26.3
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation