Molecule

ID:63901

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClFN
Molecular Mass
133.5513032
Exact Mass
133.00945507
Charge
0
InChI
InChI=1S/C5H4FN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H
InChIKey
QRUIPALQRYLTAF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccncc1.Cl
Isomeric Smiles
n1ccc(F)cc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8371134
LogD (pH = 7.4)
0.89743483
Log P
0.8982753
Molar Refractivity
24.1175
Polarizability
9.112987
Polar Surface Area
12.89
Rotatable Bonds
0
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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