Molecule

ID:34579

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₉N₃O₂S
Molecular Mass
303.46396
Exact Mass
303.19804818
Charge
0
InChI
InChI=1S/C14H29N3O2S/c1-3-16(4-2)20(18,19)17-11-7-14(8-12-17)13-5-9-15-10-6-13/h13-15H,3-12H2,1-2H3
InChIKey
HBPNYMSSIYUIOH-UHFFFAOYSA-N
Canonic Smiles
CCN(S(=O)(=O)N1CCC(CC1)C1CCNCC1)CC
Isomeric Smiles
C1CNCCC1C1CCN(CC1)S(=O)(=O)N(CC)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.8855245
LogD (pH = 7.4)
-2.4286742
Log P
0.34604502
Molar Refractivity
82.996
Polarizability
33.42447
Polar Surface Area
52.65
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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