Molecule

ID:41280

General Information
Structure
Molecular Formula
C₆H₃ClF₃N₃
Molecular Mass
209.5563296
Exact Mass
208.99675945
Charge
0
InChI
InChI=1S/C6H3ClF3N3/c1-13-5(7)3(2-11)4(12-13)6(8,9)10/h1H3
InChIKey
KVYPAFVQFQYTKD-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)n(nc1C(F)(F)F)C
Isomeric Smiles
c1(c(c(n(n1)C)Cl)C#N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8399562
LogD (pH = 7.4)
1.8399562
Log P
1.8399562
Molar Refractivity
51.0906
Polarizability
14.273988
Polar Surface Area
41.61
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
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Molecule Details
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References
Bioactivity
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