Molecule

ID:68659

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClFN
Molecular Mass
145.5620032
Exact Mass
145.00945507
Charge
0
InChI
InChI=1S/C6H5ClFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2
InChIKey
FJKIADFDXOCBRV-UHFFFAOYSA-N
Canonic Smiles
Clc1c(N)cccc1F
Isomeric Smiles
Nc1c(c(ccc1)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8909616
LogD (pH = 7.4)
1.8910651
Log P
1.8910664
Molar Refractivity
35.7796
Polarizability
13.09455
Polar Surface Area
26.02
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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