Molecule

ID:27216

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClFN₂O₂
Molecular Mass
232.6393032
Exact Mass
232.04148347
Charge
0
InChI
InChI=1S/C9H10ClFN2O2/c1-5(9(14)13-12)15-8-3-2-6(11)4-7(8)10/h2-5H,12H2,1H3,(H,13,14)
InChIKey
WOSRIVSCOGEMCI-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(Oc1ccc(cc1Cl)F)C
Isomeric Smiles
C(=O)(C(Oc1c(cc(cc1)F)Cl)C)NN
Calculated Properties
JChem
Acid pKa
10.608622
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.5042355
LogD (pH = 7.4)
1.5051093
Log P
1.5056504
Molar Refractivity
54.4272
Polarizability
20.86847
Polar Surface Area
64.35
Rotatable Bonds
3
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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