Molecule

ID:114621

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₂S
Molecular Mass
214.28466
Exact Mass
214.0775987
Charge
0
InChI
InChI=1S/C9H14N2O2S/c1-3-11(2)14(12,13)9-6-4-8(10)5-7-9/h4-7H,3,10H2,1-2H3
InChIKey
RNUAVRNGQSIXMZ-UHFFFAOYSA-N
Canonic Smiles
CCN(S(=O)(=O)c1ccc(cc1)N)C
Isomeric Smiles
S(=O)(=O)(c1ccc(N)cc1)N(CC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.55419505
LogD (pH = 7.4)
0.5545067
Log P
0.5545107
Molar Refractivity
57.4583
Polarizability
22.27825
Polar Surface Area
63.4
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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