Molecule

ID:76315

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O₂S
Molecular Mass
242.33782
Exact Mass
242.10889883
Charge
0
InChI
InChI=1S/C11H18N2O2S/c1-4-13(5-2)16(14,15)10-7-6-9(3)11(12)8-10/h6-8H,4-5,12H2,1-3H3
InChIKey
URPZZPGQCSFZLH-UHFFFAOYSA-N
Canonic Smiles
CCN(S(=O)(=O)c1ccc(c(c1)N)C)CC
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1)C)N)N(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4244378
LogD (pH = 7.4)
1.4247363
Log P
1.4247401
Molar Refractivity
67.2481
Polarizability
25.876759
Polar Surface Area
63.4
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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