Molecule

ID:43505

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClFNO₂
Molecular Mass
231.6512432
Exact Mass
231.0462345
Charge
0
InChI
InChI=1S/C10H11ClFNO2/c1-2-15-10(14)6-13-7-3-4-9(12)8(11)5-7/h3-5,13H,2,6H2,1H3
InChIKey
WHKWSCOKPZPNQV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNc1ccc(c(c1)Cl)F
Isomeric Smiles
c1(cc(NCC(=O)OCC)ccc1F)Cl
Calculated Properties
JChem
Acid pKa
15.880987
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1733875
LogD (pH = 7.4)
2.173455
Log P
2.173456
Molar Refractivity
56.8753
Polarizability
21.272692
Polar Surface Area
38.33
Rotatable Bonds
5
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