Molecule

ID:114233

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClFN₂
Molecular Mass
208.6194432
Exact Mass
208.0203541
Charge
0
InChI
InChI=1S/C10H6ClFN2/c11-10-6-5-9(13-14-10)7-3-1-2-4-8(7)12/h1-6H
InChIKey
VSJCZKWUVAOYPD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)c1ccccc1F
Isomeric Smiles
n1nc(ccc1c1c(F)cccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7758026
LogD (pH = 7.4)
2.7758029
Log P
2.7758029
Molar Refractivity
54.6111
Polarizability
21.10011
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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