Molecule

ID:114237

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClFN₂
Molecular Mass
208.6194432
Exact Mass
208.0203541
Charge
0
InChI
InChI=1S/C10H6ClFN2/c11-10-5-4-9(13-14-10)7-2-1-3-8(12)6-7/h1-6H
InChIKey
SWHBEWAGUFMFCG-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)c1ccc(nn1)Cl
Isomeric Smiles
n1nc(ccc1c1cc(F)ccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.775801
LogD (pH = 7.4)
2.7758029
Log P
2.7758029
Molar Refractivity
54.6111
Polarizability
21.094368
Polar Surface Area
25.78
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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