Molecule

ID:7148

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClFN
Molecular Mass
145.5620032
Exact Mass
145.00945507
Charge
0
InChI
InChI=1S/C6H5ClFN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKey
JCYROOANFKVAIB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)F
Isomeric Smiles
c1(ccc(c(c1)N)F)Cl
Calculated Properties
JChem
Acid pKa
18.29761
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8910227
LogD (pH = 7.4)
1.891066
Log P
1.8910664
Molar Refractivity
35.7796
Polarizability
13.064046
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
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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