Molecule
ID:98714
General Information
Molecular Formula
C₉H₈ClFO₂
Molecular Mass
202.6100232
Exact Mass
202.0196854
Charge
0
InChI
InChI=1S/C9H8ClFO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3
InChIKey
NYURFOITSAPYLU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)Cl)F
Isomeric Smiles
O=C(c1cc(c(cc1)F)Cl)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0802774
LogD (pH = 7.4)
3.0802774
Log P
3.0802774
Molar Refractivity
47.8531
Polarizability
18.259161
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...