Molecule

ID:7549

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClF₃N₂
Molecular Mass
210.5841496
Exact Mass
210.01716054
Charge
0
InChI
InChI=1S/C7H6ClF3N2/c1-3-4(2)12-6(7(9,10)11)13-5(3)8/h1-2H3
InChIKey
QKXBEKRDGUZIFQ-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(nc(c1C)Cl)C(F)(F)F
Isomeric Smiles
c1(nc(nc(c1C)Cl)C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1775544
LogD (pH = 7.4)
3.1775544
Log P
3.1775544
Molar Refractivity
43.8557
Polarizability
15.451343
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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