Molecule

ID:97835

General Information
Structure
MolImage
Molecular Formula
C₆H₆Cl₂FN
Molecular Mass
182.0229432
Exact Mass
180.98613278
Charge
0
InChI
InChI=1S/C6H5ClFN.ClH/c7-2-5-1-6(8)4-9-3-5;/h1,3-4H,2H2;1H
InChIKey
PFOZTYJEKXOWQS-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(CCl)cnc1.Cl
Isomeric Smiles
n1cc(cc(c1)F)CCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4852136
LogD (pH = 7.4)
1.4855136
Log P
1.4855174
Molar Refractivity
33.9844
Polarizability
12.8375635
Polar Surface Area
12.89
Rotatable Bonds
1
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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