Molecule

ID:95270

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClF₃N₂
Molecular Mass
298.6908096
Exact Mass
298.04846067
Charge
0
InChI
InChI=1S/C14H10F3N2.ClH/c15-14(16,17)13-5-1-3-11(7-13)9-19-6-2-4-12(8-18)10-19;/h1-7,10H,9H2;1H/q+1;/p-1
InChIKey
FOLUOIXOPQXEAQ-UHFFFAOYSA-M
Canonic Smiles
N#Cc1ccc[n+](c1)Cc1cccc(c1)C(F)(F)F.[Cl-]
Isomeric Smiles
[n+]1(cc(ccc1)C#N)Cc1cccc(c1)C(F)(F)F.[Cl-]
Calculated Properties
JChem
Acid pKa
19.267412
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.7293772
LogD (pH = 7.4)
-0.7293772
Log P
-0.7293772
Molar Refractivity
66.3644
Polarizability
23.889812
Polar Surface Area
27.67
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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