Molecule

ID:50013

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClFN₂O
Molecular Mass
294.7517432
Exact Mass
294.09351904
Charge
0
InChI
InChI=1S/C15H15FN2O.ClH/c16-12-6-8-13(9-7-12)18-15(19)14(17)10-11-4-2-1-3-5-11;/h1-9,14H,10,17H2,(H,18,19);1H
InChIKey
BPRSUGMPAWFCES-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cc1ccccc1)N)Nc1ccc(cc1)F.Cl
Isomeric Smiles
C(=O)(Nc1ccc(F)cc1)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
Acid pKa
13.569758
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.26597592
LogD (pH = 7.4)
1.9600493
Log P
2.654619
Molar Refractivity
73.61
Polarizability
27.817593
Polar Surface Area
55.12
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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