Molecule

ID:34578

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₇N₃O₂S
Molecular Mass
301.44808
Exact Mass
301.18239812
Charge
0
InChI
InChI=1S/C14H27N3O2S/c18-20(19,16-9-1-2-10-16)17-11-5-14(6-12-17)13-3-7-15-8-4-13/h13-15H,1-12H2
InChIKey
YRMDGDQORQOLMB-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(N1CCCC1)N1CCC(CC1)C1CCNCC1
Isomeric Smiles
N1(S(=O)(=O)N2CCCC2)CCC(C2CCNCC2)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.1933427
LogD (pH = 7.4)
-2.7364926
Log P
0.038226563
Molar Refractivity
81.0398
Polarizability
32.700768
Polar Surface Area
52.65
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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