Molecule

ID:63558

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClFNO₂
Molecular Mass
203.5980832
Exact Mass
203.01493437
Charge
0
InChI
InChI=1S/C8H7ClFNO2/c1-2-13-8(12)6-3-5(10)4-11-7(6)9/h3-4H,2H2,1H3
InChIKey
ZCQJBYHGMYTQAO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(F)cnc1Cl
Isomeric Smiles
c1(c(ncc(c1)F)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.082782
LogD (pH = 7.4)
2.082782
Log P
2.082782
Molar Refractivity
46.7575
Polarizability
17.4922
Polar Surface Area
39.19
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