Molecule

ID:62385

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀ClFN₂O₂
Molecular Mass
350.8150032
Exact Mass
350.11973379
Charge
0
InChI
InChI=1S/C18H19FN2O2.ClH/c19-16-6-2-1-4-14(16)11-21-9-3-5-15(12-21)17-8-7-13(10-20-17)18(22)23;/h1-2,4,6-8,10,15H,3,5,9,11-12H2,(H,22,23);1H
InChIKey
XZPYNKJQCYKVPG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1CN1CCCC(C1)c1ccc(cn1)C(=O)O.Cl
Isomeric Smiles
c1(C(=O)O)cnc(C2CN(Cc3c(F)cccc3)CCC2)cc1.Cl
Calculated Properties
JChem
Acid pKa
3.7804961
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.32154915
LogD (pH = 7.4)
0.29123047
Log P
0.32545987
Molar Refractivity
86.1501
Polarizability
32.780636
Polar Surface Area
53.43
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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