Molecule

ID:55074

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇ClN₂O₂S
Molecular Mass
228.74008
Exact Mass
228.06992647
Charge
0
InChI
InChI=1S/C7H16N2O2S.ClH/c1-9(2)12(10,11)7-3-5-8-6-4-7;/h7-8H,3-6H2,1-2H3;1H
InChIKey
ISCJPEJPLAOFAD-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)C1CCNCC1)C.Cl
Isomeric Smiles
C1C(CCNC1)S(=O)(=O)N(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.3131876
LogD (pH = 7.4)
-3.2207937
Log P
-1.1397607
Molar Refractivity
48.2643
Polarizability
19.764751
Polar Surface Area
49.41
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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