Molecule

ID:24634

General Information
Structure
MolImage
Molecular Formula
C₇H₉NOS
Molecular Mass
155.21746
Exact Mass
155.04048491
Charge
0
InChI
InChI=1S/C7H9NOS/c1-5(2)7-8-6(3-9)4-10-7/h3-5H,1-2H3
InChIKey
NUEZKCPTDMEROB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1csc(n1)C(C)C
Isomeric Smiles
n1c(scc1C=O)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3856366
LogD (pH = 7.4)
2.3856704
Log P
2.385671
Molar Refractivity
41.1073
Polarizability
15.483439
Polar Surface Area
29.96
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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