Molecule

ID:60843

General Information
Structure
MolImage
Molecular Formula
C₇H₉NOS
Molecular Mass
155.21746
Exact Mass
155.04048491
Charge
0
InChI
InChI=1S/C7H9NOS/c1-4(9)7-5(2)10-6(3)8-7/h1-3H3
InChIKey
OJPIXALUIAHSQX-UHFFFAOYSA-N
Canonic Smiles
Cc1sc(c(n1)C(=O)C)C
Isomeric Smiles
c1(nc(sc1C)C)C(=O)C
Calculated Properties
JChem
Acid pKa
14.715822
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3442423
LogD (pH = 7.4)
1.3444592
Log P
1.344462
Molar Refractivity
40.7942
Polarizability
15.406602
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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