Molecule

ID:62514

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉ClN₂O₂S
Molecular Mass
242.76666
Exact Mass
242.08557654
Charge
0
InChI
InChI=1S/C8H18N2O2S.ClH/c1-13(11,12)10-6-3-8(2-5-9)4-7-10;/h8H,2-7,9H2,1H3;1H
InChIKey
ZRYPMESIEWQDFA-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCN(CC1)S(=O)(=O)C.Cl
Isomeric Smiles
S(=O)(=O)(N1CCC(CC1)CCN)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.0733194
LogD (pH = 7.4)
-3.64854
Log P
-1.0495039
Molar Refractivity
52.7381
Polarizability
21.597046
Polar Surface Area
63.4
Rotatable Bonds
2
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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