Molecule

ID:57663

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₂S
Molecular Mass
304.4072
Exact Mass
304.12454889
Charge
0
InChI
InChI=1S/C16H20N2O2S/c1-2-12-18(13-14-6-4-3-5-7-14)21(19,20)16-10-8-15(17)9-11-16/h3-11H,2,12-13,17H2,1H3
InChIKey
FTXXDKHYXYGSAX-UHFFFAOYSA-N
Canonic Smiles
CCCN(S(=O)(=O)c1ccc(cc1)N)Cc1ccccc1
Isomeric Smiles
S(=O)(=O)(N(Cc1ccccc1)CCC)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8011658
LogD (pH = 7.4)
2.801502
Log P
2.8015063
Molar Refractivity
86.5949
Polarizability
33.694687
Polar Surface Area
63.4
Rotatable Bonds
5
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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