Molecule

ID:8658

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClFO₂
Molecular Mass
202.6100232
Exact Mass
202.0196854
Charge
0
InChI
InChI=1S/C9H8ClFO2/c10-3-6-1-8(11)2-7-4-12-5-13-9(6)7/h1-2H,3-5H2
InChIKey
FMONGDHUPLQOCP-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(F)cc2c1OCOC2
Isomeric Smiles
c1(cc(c2c(c1)COCO2)CCl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3598714
LogD (pH = 7.4)
2.3598714
Log P
2.3598714
Molar Refractivity
47.0121
Polarizability
18.089725
Polar Surface Area
18.46
Rotatable Bonds
1
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