Molecule

ID:44617

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NS
Molecular Mass
179.28192
Exact Mass
179.07687042
Charge
0
InChI
InChI=1S/C10H13NS/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-5,10-11H,6-7H2,1H3
InChIKey
NLKGQUAQKCOAHV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C1NCCS1
Isomeric Smiles
C1(NCCS1)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.16142516
LogD (pH = 7.4)
1.8948163
Log P
2.6036994
Molar Refractivity
54.4827
Polarizability
21.510351
Polar Surface Area
12.03
Rotatable Bonds
1
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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