Molecule

ID:56729

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClFO₂
Molecular Mass
216.6366032
Exact Mass
216.03533546
Charge
0
InChI
InChI=1S/C10H10ClFO2/c1-2-9(10(11)13)14-8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3
InChIKey
PXRRFMWVJKCPQJ-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Cl)Oc1ccc(cc1)F
Isomeric Smiles
C(=O)(C(Oc1ccc(F)cc1)CC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0608761
LogD (pH = 7.4)
3.0608761
Log P
3.0608761
Molar Refractivity
51.6986
Polarizability
20.056767
Polar Surface Area
26.3
Rotatable Bonds
4
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