Molecule

ID:65098

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClF₂N₂
Molecular Mass
182.5988664
Exact Mass
182.04223242
Charge
0
InChI
InChI=1S/C6H8F2N2.ClH/c7-6(8)1-4(2-6)5(10)3-9;/h4-5H,1-2,10H2;1H
InChIKey
KHHSKCARNRUUNM-UHFFFAOYSA-N
Canonic Smiles
NC(C1CC(C1)(F)F)C#N.Cl
Isomeric Smiles
C1(CC(C1)C(N)C#N)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4283676
LogD (pH = 7.4)
-0.2524585
Log P
-0.16556826
Molar Refractivity
31.8668
Polarizability
12.029147
Polar Surface Area
49.81
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