Molecule

ID:54886

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂FN₂
Molecular Mass
207.0324032
Exact Mass
205.98138175
Charge
0
InChI
InChI=1S/C7H5Cl2FN2/c8-5-4(10)6(9)12-7(11-5)3-1-2-3/h3H,1-2H2
InChIKey
IWEYDOPVUWBPGT-UHFFFAOYSA-N
Canonic Smiles
Fc1c(Cl)nc(nc1Cl)C1CC1
Isomeric Smiles
c1(nc(c(c(n1)Cl)F)Cl)C1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1320662
LogD (pH = 7.4)
3.1320662
Log P
3.1320662
Molar Refractivity
46.6945
Polarizability
17.083227
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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