Molecule

ID:34061

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇ClN₂O₂S
Molecular Mass
228.74008
Exact Mass
228.06992647
Charge
0
InChI
InChI=1S/C7H16N2O2S.ClH/c1-2-12(10,11)9-5-3-7(8)4-6-9;/h7H,2-6,8H2,1H3;1H
InChIKey
RMCIXAGYCNUNAM-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)N1CCC(CC1)N.Cl
Isomeric Smiles
C1N(CCC(C1)N)S(=O)(=O)CC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.3854804
LogD (pH = 7.4)
-3.8151567
Log P
-1.3677224
Molar Refractivity
48.1145
Polarizability
19.764751
Polar Surface Area
63.4
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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