Molecule

ID:121070

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁N₃O₂S
Molecular Mass
247.35764
Exact Mass
247.13544793
Charge
0
InChI
InChI=1S/C10H21N3O2S/c14-16(15,12-7-2-1-3-8-12)13-9-4-5-11-6-10-13/h11H,1-10H2
InChIKey
RZDQFURGAFOELV-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(N1CCCNCC1)N1CCCCC1
Isomeric Smiles
S(=O)(=O)(N1CCNCCC1)N1CCCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.18136
LogD (pH = 7.4)
-1.4473697
Log P
-0.7222021
Molar Refractivity
64.1912
Polarizability
26.076332
Polar Surface Area
52.65
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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