Molecule

ID:7396

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClFO
Molecular Mass
186.6106232
Exact Mass
186.02477078
Charge
0
InChI
InChI=1S/C9H8ClFO/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKey
AGQLOTJUTCKLOE-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)c1ccc(cc1)F)Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)F)C(C)Cl
Calculated Properties
JChem
Acid pKa
15.798193
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7797034
LogD (pH = 7.4)
2.7797034
Log P
2.7797034
Molar Refractivity
45.9243
Polarizability
17.444494
Polar Surface Area
17.07
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