Molecule

ID:96287

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClFN₂O₂
Molecular Mass
258.6765832
Exact Mass
258.05713353
Charge
0
InChI
InChI=1S/C11H12ClFN2O2/c1-2-4-10(12)15-17-11(16)14-9-6-3-5-8(13)7-9/h3,5-7H,2,4H2,1H3,(H,14,16)
InChIKey
VHYKGGYZKOXRQT-UHFFFAOYSA-N
Canonic Smiles
CCC/C(=N/OC(=O)Nc1cccc(c1)F)/Cl
Isomeric Smiles
N(=C(\Cl)/CCC)\OC(=O)Nc1cccc(c1)F
Calculated Properties
JChem
Acid pKa
12.18077
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.657862
LogD (pH = 7.4)
3.6578553
Log P
3.6578622
Molar Refractivity
64.0515
Polarizability
23.787195
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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