Molecule

ID:29763

General Information
Structure
MolImage
Molecular Formula
C₁₁H₅Cl₂FN₂O
Molecular Mass
271.0746032
Exact Mass
269.97629637
Charge
0
InChI
InChI=1S/C11H5Cl2FN2O/c12-9-5-8(15-11(13)16-9)10(17)6-1-3-7(14)4-2-6/h1-5H
InChIKey
QIULZDCQGAXJIB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)c1cc(Cl)nc(n1)Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)F)c1nc(nc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.770413
LogD (pH = 7.4)
3.770413
Log P
3.770413
Molar Refractivity
64.5069
Polarizability
23.94255
Polar Surface Area
42.85
Rotatable Bonds
2
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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