Molecule

ID:95085

General Information
Structure
Molecular Formula
C₆H₇ClF₂N₂
Molecular Mass
180.5829864
Exact Mass
180.02658235
Charge
0
InChI
InChI=1S/C6H6F2N2.ClH/c7-4-1-2-5(8)6(3-4)10-9;/h1-3,10H,9H2;1H
InChIKey
LZKLZCSHMDRKJH-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(F)ccc1F.Cl
Isomeric Smiles
N(c1c(ccc(c1)F)F)N.Cl
Calculated Properties
JChem
Acid pKa
15.357854
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5808338
LogD (pH = 7.4)
1.6489794
Log P
1.6502923
Molar Refractivity
36.1975
Polarizability
12.346409
Polar Surface Area
38.05
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