Molecule

ID:51300

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNS
Molecular Mass
241.78014
Exact Mass
241.0691982
Charge
0
InChI
InChI=1S/C12H15NS.ClH/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12;/h1-4,13H,5-9H2;1H
InChIKey
QYYXTMKOBDSRNP-UHFFFAOYSA-N
Canonic Smiles
N1CCC2(CC1)SCc1c2cccc1.Cl
Isomeric Smiles
S1C2(c3c(C1)cccc3)CCNCC2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3453207
LogD (pH = 7.4)
-0.40666038
Log P
1.851695
Molar Refractivity
62.3017
Polarizability
24.537903
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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