Molecule

ID:121586

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂Cl₂N₂O₂S
Molecular Mass
223.12128
Exact Mass
221.99965399
Charge
0
InChI
InChI=1S/C4H10N2O2S.2ClH/c5-3-1-9(7,8)2-4(3)6;;/h3-4H,1-2,5-6H2;2*1H
InChIKey
UYORTFNECMHCAN-UHFFFAOYSA-N
Canonic Smiles
NC1CS(=O)(=O)CC1N.Cl.Cl
Isomeric Smiles
S1(=O)(=O)CC(C(C1)N)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.4842696
LogD (pH = 7.4)
-3.4516752
Log P
-2.6425517
Molar Refractivity
32.8108
Polarizability
14.651297
Polar Surface Area
86.18
Rotatable Bonds
0
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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