Molecule

ID:30263

General Information
Structure
Molecular Formula
C₇H₁₇ClN₂O₂S
Molecular Mass
228.74008
Exact Mass
228.06992647
Charge
0
InChI
InChI=1S/C7H16N2O2S.ClH/c8-4-7-12(10,11)9-5-2-1-3-6-9;/h1-8H2;1H
InChIKey
MVWSZQAXXBXHKN-UHFFFAOYSA-N
Canonic Smiles
NCCS(=O)(=O)N1CCCCC1.Cl
Isomeric Smiles
S(=O)(=O)(N1CCCCC1)CCN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.5711997
LogD (pH = 7.4)
-1.9646522
Log P
-0.8823258
Molar Refractivity
48.0759
Polarizability
19.764751
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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