Molecule

ID:14871

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClNOS
Molecular Mass
269.79024
Exact Mass
269.06411282
Charge
0
InChI
InChI=1S/C13H15NOS.ClH/c1-16-13-6-4-11(5-7-13)9-14-10-12-3-2-8-15-12;/h2-8,14H,9-10H2,1H3;1H
InChIKey
WVFSFMHXCKHNGK-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1)CNCc1ccco1.Cl
Isomeric Smiles
c1cc(oc1)CNCc1ccc(cc1)SC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.70041424
LogD (pH = 7.4)
2.4084127
Log P
2.9445314
Molar Refractivity
69.0684
Polarizability
26.88646
Polar Surface Area
25.17
Rotatable Bonds
5
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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