Molecule

ID:50884

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₂S
Molecular Mass
204.28984
Exact Mass
204.09324876
Charge
0
InChI
InChI=1S/C8H16N2O2S/c11-13(12)6-1-8(7-13)10-4-2-9-3-5-10/h8-9H,1-7H2
InChIKey
CNOXWQHELZMCQH-UHFFFAOYSA-N
Canonic Smiles
O=S1(=O)CCC(C1)N1CCNCC1
Isomeric Smiles
S1(=O)(=O)CC(N2CCNCC2)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.6239705
LogD (pH = 7.4)
-3.180714
Log P
-1.5656753
Molar Refractivity
51.2945
Polarizability
21.257298
Polar Surface Area
49.41
Rotatable Bonds
1
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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