Molecule

ID:28282

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClFNO
Molecular Mass
215.6518432
Exact Mass
215.05131988
Charge
0
InChI
InChI=1S/C10H11ClFNO/c1-7-2-3-8(12)6-9(7)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKey
UJVMVSBNTJTGOO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1NC(=O)CCCl)F
Isomeric Smiles
c1(NC(=O)CCCl)cc(ccc1C)F
Calculated Properties
JChem
Acid pKa
13.670821
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.641436
LogD (pH = 7.4)
2.6414359
Log P
2.641436
Molar Refractivity
55.6312
Polarizability
20.364927
Polar Surface Area
29.1
Rotatable Bonds
3
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