Molecule

ID:70864

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂S
Molecular Mass
290.38062
Exact Mass
290.10889883
Charge
0
InChI
InChI=1S/C15H18N2O2S/c1-3-17(14-7-5-4-6-8-14)20(18,19)15-11-13(16)10-9-12(15)2/h4-11H,3,16H2,1-2H3
InChIKey
ZAXMFSSGOARPBM-UHFFFAOYSA-N
Canonic Smiles
CCN(S(=O)(=O)c1cc(N)ccc1C)c1ccccc1
Isomeric Smiles
c1(c(ccc(c1)N)C)S(=O)(=O)N(c1ccccc1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7245252
LogD (pH = 7.4)
2.7258732
Log P
2.7258906
Molar Refractivity
82.2771
Polarizability
31.772694
Polar Surface Area
63.4
Rotatable Bonds
3
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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