Molecule

ID:42277

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NOS
Molecular Mass
195.28132
Exact Mass
195.07178504
Charge
0
InChI
InChI=1S/C10H13NOS/c1-8(11(2)3)6-10(12)9-4-5-13-7-9/h4-7H,1-3H3/b8-6+
InChIKey
NTUFEJJCKPNJNP-SOFGYWHQSA-N
Canonic Smiles
C/C(=C\C(=O)c1cscc1)/N(C)C
Isomeric Smiles
C(=C(\N(C)C)/C)/C(=O)c1cscc1
Calculated Properties
JChem
Acid pKa
17.14187
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8429075
LogD (pH = 7.4)
1.6928884
Log P
1.7280027
Molar Refractivity
57.7379
Polarizability
20.986364
Polar Surface Area
20.31
Rotatable Bonds
3
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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