Molecule

ID:18040

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₂S
Molecular Mass
214.28466
Exact Mass
214.0775987
Charge
0
InChI
InChI=1S/C9H14N2O2S/c1-7-4-5-8(10)6-9(7)14(12,13)11(2)3/h4-6H,10H2,1-3H3
InChIKey
SNBPDMLVDOVULQ-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)c1cc(N)ccc1C)C
Isomeric Smiles
S(=O)(=O)(c1cc(N)ccc1C)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7098592
LogD (pH = 7.4)
0.7111082
Log P
0.7111242
Molar Refractivity
57.7509
Polarizability
22.204824
Polar Surface Area
63.4
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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