Molecule

ID:34782

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NOS
Molecular Mass
197.2972
Exact Mass
197.08743511
Charge
0
InChI
InChI=1S/C10H15NOS/c1-6(12)9-7(11)5-8(13-9)10(2,3)4/h5H,11H2,1-4H3
InChIKey
RBLSJHKIPYUAAF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1sc(cc1N)C(C)(C)C
Isomeric Smiles
c1(sc(cc1N)C(C)(C)C)C(=O)C
Calculated Properties
JChem
Acid pKa
15.622164
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9423444
LogD (pH = 7.4)
2.9423444
Log P
2.9423444
Molar Refractivity
56.5011
Polarizability
21.137432
Polar Surface Area
43.09
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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