Molecule

ID:24571

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂S
Molecular Mass
186.2315
Exact Mass
186.04629857
Charge
0
InChI
InChI=1S/C7H10N2O2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,8H2,1H3
InChIKey
OISQSDKFWKJEBA-UHFFFAOYSA-N
Canonic Smiles
CNS(=O)(=O)c1ccc(cc1)N
Isomeric Smiles
S(=O)(=O)(c1ccc(N)cc1)NC
Calculated Properties
JChem
Acid pKa
10.948156
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.026247622
LogD (pH = 7.4)
-0.026085626
Log P
-0.025973303
Molar Refractivity
47.813
Polarizability
18.61184
Polar Surface Area
72.19
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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