Molecule

ID:68029

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClFN
Molecular Mass
145.5620032
Exact Mass
145.00945507
Charge
0
InChI
InChI=1S/C6H5ClFN/c1-4-2-3-5(8)6(7)9-4/h2-3H,1H3
InChIKey
BGDYLOGCMJAUHR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(n1)Cl)F
Isomeric Smiles
c1(c(ccc(n1)C)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8538666
LogD (pH = 7.4)
1.8538673
Log P
1.8538673
Molar Refractivity
34.5751
Polarizability
12.898584
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
No Data Available
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Molecule Details
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References
Bioactivity
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