Molecule

ID:64027

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆F₂O₂
Molecular Mass
230.2510464
Exact Mass
230.11183619
Charge
0
InChI
InChI=1S/C12H16F2O2/c1-16-10(15)11-4-7-2-8(5-11)12(13,14)9(3-7)6-11/h7-9H,2-6H2,1H3
InChIKey
IRSQDTPPCWEWKW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C12CC3CC(C2)C(C(C1)C3)(F)F
Isomeric Smiles
C1C2CC3(CC(CC1C3)C2(F)F)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3971355
LogD (pH = 7.4)
2.3971355
Log P
2.3971355
Molar Refractivity
53.4888
Polarizability
20.96841
Polar Surface Area
26.3
Rotatable Bonds
2
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
暂无数据
点击上传数据
References
Bioactivity
Navigation