Molecule
ID:97398
General Information
Molecular Formula
C₆H₃ClF₂O
Molecular Mass
164.5372264
Exact Mass
163.98404884
Charge
0
InChI
InChI=1S/C6H3ClF2O/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H
InChIKey
BIMMYORCXVUELS-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)Cl)O
Isomeric Smiles
Oc1c(cc(cc1F)F)Cl
Calculated Properties
JChem
Acid pKa
6.778117
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5370169
LogD (pH = 7.4)
1.8595399
Log P
2.559129
Molar Refractivity
33.2765
Polarizability
12.46331
Polar Surface Area
20.23
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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