Molecule

ID:114326

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClFN₂
Molecular Mass
208.6194432
Exact Mass
208.0203541
Charge
0
InChI
InChI=1S/C10H6ClFN2/c11-10-5-9(13-6-14-10)7-1-3-8(12)4-2-7/h1-6H
InChIKey
KYBYBOZNMFRRSF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1ncnc(c1)Cl
Isomeric Smiles
c1c(ncnc1Cl)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0497224
LogD (pH = 7.4)
3.0497348
Log P
3.0497348
Molar Refractivity
53.569
Polarizability
21.074387
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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