Molecule

ID:22342

General Information
Structure
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Molecular Formula
C₅H₂ClF₂N
Molecular Mass
149.5258864
Exact Mass
148.98438319
Charge
0
InChI
InChI=1S/C5H2ClF2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey
PERMDYZFNQIKBL-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(c(c1)F)F
Isomeric Smiles
c1(cnc(c(c1)F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0389526
LogD (pH = 7.4)
2.0389526
Log P
2.0389526
Molar Refractivity
30.1534
Polarizability
10.963933
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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