Molecule

ID:51013

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNS
Molecular Mass
241.78014
Exact Mass
241.0691982
Charge
0
InChI
InChI=1S/C12H15NS.ClH/c1-2-4-11-9-12(13-7-8-14-12)6-5-10(11)3-1;/h1-4,13H,5-9H2;1H
InChIKey
WRWURAKTIMJNPI-UHFFFAOYSA-N
Canonic Smiles
C1CSC2(N1)CCc1c(C2)cccc1.Cl
Isomeric Smiles
C12(NCCS1)Cc1c(CC2)cccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.15119834
LogD (pH = 7.4)
1.4884644
Log P
2.7170055
Molar Refractivity
62.3421
Polarizability
24.385468
Polar Surface Area
12.03
Rotatable Bonds
0
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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