Molecule

ID:22351

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClFN
Molecular Mass
145.5620032
Exact Mass
145.00945507
Charge
0
InChI
InChI=1S/C6H5ClFN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
InChIKey
XZJURWKNRAGMCG-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1)F)Cl
Isomeric Smiles
c1(c(cc(cn1)C)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.235918
LogD (pH = 7.4)
2.2359185
Log P
2.2359185
Molar Refractivity
35.0248
Polarizability
12.895414
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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