Molecule

ID:38132

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO₂S
Molecular Mass
253.7893
Exact Mass
253.09032757
Charge
0
InChI
InChI=1S/C10H19NO2S.ClH/c12-14(13,7-9-1-2-9)8-10-3-5-11-6-4-10;/h9-11H,1-8H2;1H
InChIKey
VVYFZXODPLHSDD-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(CC1CC1)CC1CCNCC1.Cl
Isomeric Smiles
C1NCCC(C1)CS(=O)(=O)CC1CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3371282
LogD (pH = 7.4)
-2.7430043
Log P
-0.1116571
Molar Refractivity
57.2834
Polarizability
23.399
Polar Surface Area
46.17
Rotatable Bonds
4
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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