Molecule

ID:37813

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClFN₂O₂S
Molecular Mass
322.8265032
Exact Mass
322.09180479
Charge
0
InChI
InChI=1S/C13H19FN2O2S.ClH/c14-12-1-3-13(4-2-12)19(17,18)16-9-6-11(5-8-15)7-10-16;/h1-4,11H,5-10,15H2;1H
InChIKey
PFRYTYJOXOROJK-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)F.Cl
Isomeric Smiles
C1CN(CCC1CCN)S(=O)(=O)c1ccc(cc1)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8160913
LogD (pH = 7.4)
-1.391312
Log P
1.2077241
Molar Refractivity
73.1035
Polarizability
28.982841
Polar Surface Area
63.4
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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