Molecule

ID:7660

General Information
Structure
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Molecular Formula
C₆H₅ClFN
Molecular Mass
145.5620032
Exact Mass
145.00945507
Charge
0
InChI
InChI=1S/C6H5ClFN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey
ZJLAWMDJTMMTQB-UHFFFAOYSA-N
Canonic Smiles
Nc1c(F)cccc1Cl
Isomeric Smiles
c1ccc(c(c1F)N)Cl
Calculated Properties
JChem
Acid pKa
16.25277
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8910526
LogD (pH = 7.4)
1.8910663
Log P
1.8910664
Molar Refractivity
35.7796
Polarizability
13.073681
Polar Surface Area
26.02
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
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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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