Molecule

ID:7288

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClF₂O₂
Molecular Mass
218.5846064
Exact Mass
217.99461352
Charge
0
InChI
InChI=1S/C9H5ClF2O2/c10-9-5(1-4-8(13)14)6(11)2-3-7(9)12/h1-4H,(H,13,14)/b4-1+
InChIKey
IHWVLAUNJHXFGN-DAFODLJHSA-N
Canonic Smiles
OC(=O)/C=C/c1c(F)ccc(c1Cl)F
Isomeric Smiles
c1cc(c(c(c1F)/C=C/C(=O)O)Cl)F
Calculated Properties
JChem
Acid pKa
3.2300124
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.77648175
LogD (pH = 7.4)
-0.41447648
Log P
3.0255349
Molar Refractivity
48.2975
Polarizability
17.704897
Polar Surface Area
37.3
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