Molecule

ID:99632

General Information
Structure
MolImage
Molecular Formula
C₉H₄Cl₂FN
Molecular Mass
216.0391632
Exact Mass
214.97048271
Charge
0
InChI
InChI=1S/C9H4Cl2FN/c10-8-3-5-1-2-6(12)4-7(5)9(11)13-8/h1-4H
InChIKey
RPCBWABYLPCEQX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(Cl)nc(c2)Cl
Isomeric Smiles
n1c(c2cc(ccc2cc1Cl)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5361958
LogD (pH = 7.4)
3.5361958
Log P
3.5361958
Molar Refractivity
52.2999
Polarizability
20.484144
Polar Surface Area
12.89
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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