Molecule

ID:83448

General Information
Structure
Molecular Formula
C₆H₇NOS
Molecular Mass
141.19088
Exact Mass
141.02483485
Charge
0
InChI
InChI=1S/C6H7NOS/c1-4(8)6-5(7)2-3-9-6/h2-3H,7H2,1H3
InChIKey
MMLSKDGCLMDHAJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1sccc1N
Isomeric Smiles
s1ccc(c1C(=O)C)N
Calculated Properties
JChem
Acid pKa
15.464415
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2648487
LogD (pH = 7.4)
1.2648487
Log P
1.2648487
Molar Refractivity
38.0511
Polarizability
13.878776
Polar Surface Area
43.09
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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