Molecule

ID:97187

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClF₂NO₂
Molecular Mass
219.5726664
Exact Mass
218.98986249
Charge
0
InChI
InChI=1S/C8H4ClF2NO2/c9-6-3-5(12-4-13)1-2-7(6)14-8(10)11/h1-3,8H
InChIKey
ARTMPJBCJHOVJE-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(c(c1)Cl)OC(F)F
Isomeric Smiles
N(=C=O)c1cc(c(cc1)OC(F)F)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.255933
LogD (pH = 7.4)
3.255933
Log P
3.255933
Molar Refractivity
46.4069
Polarizability
16.84446
Polar Surface Area
38.66
Rotatable Bonds
3
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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