Molecule

ID:97684

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClF₂N
Molecular Mass
193.6215064
Exact Mass
193.04698345
Charge
0
InChI
InChI=1S/C8H9F2N.ClH/c1-5(11)6-2-3-7(9)8(10)4-6;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChIKey
KRYCUFKROCITGA-JEDNCBNOSA-N
Canonic Smiles
C[C@@H](c1ccc(c(c1)F)F)N.Cl
Isomeric Smiles
N[C@H](c1cc(c(cc1)F)F)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1881708
LogD (pH = 7.4)
-0.25923046
Log P
1.8009932
Molar Refractivity
39.383
Polarizability
14.893085
Polar Surface Area
26.02
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