Molecule

ID:98770

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClFNO
Molecular Mass
163.5772832
Exact Mass
163.02001975
Charge
0
InChI
InChI=1S/C6H6FNO.ClH/c7-5-3-4(9)1-2-6(5)8;/h1-3,9H,8H2;1H
InChIKey
BUNOVSISSBLYTC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)F)N.Cl
Isomeric Smiles
Oc1cc(c(cc1)N)F.Cl
Calculated Properties
JChem
Acid pKa
9.480537
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.98002326
LogD (pH = 7.4)
0.9798278
Log P
0.9834565
Molar Refractivity
32.9557
Polarizability
11.787506
Polar Surface Area
46.25
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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