Molecule

ID:99920

General Information
Structure
MolImage
Molecular Formula
C₅H₂ClF₂N
Molecular Mass
149.5258864
Exact Mass
148.98438319
Charge
0
InChI
InChI=1S/C5H2ClF2N/c6-5-3(7)1-9-2-4(5)8/h1-2H
InChIKey
JAPLMZGRFXTEJB-UHFFFAOYSA-N
Canonic Smiles
Fc1cncc(c1Cl)F
Isomeric Smiles
n1cc(c(c(c1)F)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.645021
LogD (pH = 7.4)
1.6450219
Log P
1.6450219
Molar Refractivity
29.1387
Polarizability
11.001417
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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