Molecule

ID:44314

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NS
Molecular Mass
193.3085
Exact Mass
193.09252049
Charge
0
InChI
InChI=1S/C11H15NS/c1-2-9-3-5-10(6-4-9)11-12-7-8-13-11/h3-6,11-12H,2,7-8H2,1H3
InChIKey
GNBVTIOCKRYZIB-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)C1NCCS1
Isomeric Smiles
C1(NCCS1)c1ccc(cc1)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.6128742
LogD (pH = 7.4)
2.3459466
Log P
3.048268
Molar Refractivity
59.0837
Polarizability
23.35614
Polar Surface Area
12.03
Rotatable Bonds
2
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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