Molecule
ID:66214
General Information
Molecular Formula
C₆H₄ClF₂N
Molecular Mass
163.5524664
Exact Mass
163.00003325
Charge
0
InChI
InChI=1S/C6H4ClF2N/c7-4-1-2-5(6(8)9)10-3-4/h1-3,6H
InChIKey
AGXTUFVZHFKUFF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nc1)C(F)F
Isomeric Smiles
c1(ccc(cn1)Cl)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9056554
LogD (pH = 7.4)
1.9056621
Log P
1.9056622
Molar Refractivity
33.4362
Polarizability
12.794512
Polar Surface Area
12.89
Rotatable Bonds
1
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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