Molecule

ID:94429

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClFO
Molecular Mass
186.6106232
Exact Mass
186.02477078
Charge
0
InChI
InChI=1S/C9H8ClFO/c10-9(12)6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2
InChIKey
UKMJNLBMILIWFH-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)CCc1ccccc1F
Isomeric Smiles
Fc1ccccc1CCC(=O)Cl
Calculated Properties
JChem
Acid pKa
19.34785
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7315943
LogD (pH = 7.4)
2.7315943
Log P
2.7315943
Molar Refractivity
46.0415
Polarizability
17.497486
Polar Surface Area
17.07
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