Molecule

ID:96286

General Information
Structure
Molecular Formula
C₁₁H₁₁Cl₂FN₂O₂
Molecular Mass
293.1216432
Exact Mass
292.01816118
Charge
0
InChI
InChI=1S/C11H11Cl2FN2O2/c1-2-3-10(13)16-18-11(17)15-7-4-5-9(14)8(12)6-7/h4-6H,2-3H2,1H3,(H,15,17)
InChIKey
NWDZWPMTYCIHBU-UHFFFAOYSA-N
Canonic Smiles
CCC/C(=N/OC(=O)Nc1ccc(c(c1)Cl)F)/Cl
Isomeric Smiles
N(=C(\Cl)/CCC)\OC(=O)Nc1ccc(c(c1)Cl)F
Calculated Properties
JChem
Acid pKa
12.372143
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.2619066
LogD (pH = 7.4)
4.2619023
Log P
4.2619066
Molar Refractivity
68.8563
Polarizability
25.771769
Polar Surface Area
50.69
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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