Molecule

ID:20450

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClFN₂O₂
Molecular Mass
296.7245632
Exact Mass
296.0727836
Charge
0
InChI
InChI=1S/C14H13FN2O2.ClH/c1-9(18)17-11-3-2-4-12(8-11)19-14-6-5-10(16)7-13(14)15;/h2-8H,16H2,1H3,(H,17,18);1H
InChIKey
PLMOEEOWSADFDI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)Oc1ccc(cc1F)N.Cl
Isomeric Smiles
c1(c(cc(N)cc1)F)Oc1cc(NC(=O)C)ccc1.Cl
Calculated Properties
JChem
Acid pKa
13.913601
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0219014
LogD (pH = 7.4)
2.0249798
Log P
2.0250194
Molar Refractivity
72.0786
Polarizability
26.349657
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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