Molecule

ID:23258

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClFN₂O₂
Molecular Mass
294.7086832
Exact Mass
294.05713353
Charge
0
InChI
InChI=1S/C14H12ClFN2O2/c15-10-3-1-2-4-13(10)20-8-14(19)18-12-7-9(17)5-6-11(12)16/h1-7H,8,17H2,(H,18,19)
InChIKey
YJLFFOHTXYGEEO-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1F)COc1ccccc1Cl
Isomeric Smiles
c1(NC(=O)COc2c(Cl)cccc2)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.160975
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.6428223
LogD (pH = 7.4)
2.6455727
Log P
2.6456804
Molar Refractivity
76.6047
Polarizability
28.234953
Polar Surface Area
64.35
Rotatable Bonds
4
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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