Molecule

ID:51116

General Information
Structure
Molecular Formula
C₆H₄ClF₃N₂
Molecular Mass
196.5575696
Exact Mass
196.00151048
Charge
0
InChI
InChI=1S/C6H4ClF3N2/c7-5-4(11)1-3(2-12-5)6(8,9)10/h1-2H,11H2
InChIKey
HABKYPVMMHBOIW-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(cc1N)C(F)(F)F
Isomeric Smiles
c1(c(cc(cn1)C(F)(F)F)N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6287143
LogD (pH = 7.4)
1.6287178
Log P
1.6287178
Molar Refractivity
40.4413
Polarizability
13.963758
Polar Surface Area
38.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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