Molecule

ID:44303

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃Cl₂NS
Molecular Mass
238.17722
Exact Mass
237.01457578
Charge
0
InChI
InChI=1S/C9H12ClNS.ClH/c10-9-3-1-2-8(6-9)7-12-5-4-11;/h1-3,6H,4-5,7,11H2;1H
InChIKey
FRPLSCSFTWTHJE-UHFFFAOYSA-N
Canonic Smiles
NCCSCc1cccc(c1)Cl.Cl
Isomeric Smiles
c1c(Cl)cccc1CSCCN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.61343306
LogD (pH = 7.4)
0.15586852
Log P
2.3916502
Molar Refractivity
56.5113
Polarizability
22.300365
Polar Surface Area
26.02
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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