Molecule
ID:66941
General Information
Molecular Formula
C₇H₁₀N₂O₂S
Molecular Mass
186.2315
Exact Mass
186.04629857
Charge
0
InChI
InChI=1S/C7H10N2O2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,8H2,1H3
InChIKey
SSEZSHJJNNLTQI-UHFFFAOYSA-N
Canonic Smiles
CNS(=O)(=O)c1ccccc1N
Isomeric Smiles
c1(c(cccc1)N)S(=O)(=O)NC
Calculated Properties
JChem
Acid pKa
10.532275
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.0260108
LogD (pH = 7.4)
-0.026257357
Log P
-0.025973303
Molar Refractivity
47.813
Polarizability
18.614286
Polar Surface Area
72.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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