Molecule

ID:39602

General Information
Structure
Molecular Formula
C₇H₂ClF₃N₂
Molecular Mass
206.5523896
Exact Mass
205.98586041
Charge
0
InChI
InChI=1S/C7H2ClF3N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H
InChIKey
FUPKVFJSGNZICR-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(cnc(c(c1)Cl)C#N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.479413
LogD (pH = 7.4)
2.479413
Log P
2.479413
Molar Refractivity
40.0292
Polarizability
14.633156
Polar Surface Area
36.68
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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