Molecule

ID:54018

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClF₃N₂
Molecular Mass
210.5841496
Exact Mass
210.01716054
Charge
0
InChI
InChI=1S/C7H6ClF3N2/c1-12-6-3-4(7(9,10)11)2-5(8)13-6/h2-3H,1H3,(H,12,13)
InChIKey
RFATTWKJSLOMMZ-UHFFFAOYSA-N
Canonic Smiles
CNc1nc(Cl)cc(c1)C(F)(F)F
Isomeric Smiles
c1c(nc(cc1C(F)(F)F)Cl)NC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5245008
LogD (pH = 7.4)
2.5248747
Log P
2.5248795
Molar Refractivity
46.2482
Polarizability
15.730427
Polar Surface Area
24.92
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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