Molecule

ID:92588

General Information
Structure
MolImage
Molecular Formula
C₇H₉NOS
Molecular Mass
155.21746
Exact Mass
155.04048491
Charge
0
InChI
InChI=1S/C7H9NOS/c1-4-6(3)10-7(8-4)5(2)9/h1-3H3
InChIKey
NQBBXAHMYZUTSW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1sc(c(n1)C)C
Isomeric Smiles
s1c(c(C)nc1C(=O)C)C
Calculated Properties
JChem
Acid pKa
14.080951
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3444468
LogD (pH = 7.4)
1.3444617
Log P
1.344462
Molar Refractivity
40.7942
Polarizability
15.409816
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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