Molecule

ID:74798

General Information
Structure
MolImage
Molecular Formula
C₄H₉Cl₂NO₂S
Molecular Mass
206.09076
Exact Mass
204.97310489
Charge
0
InChI
InChI=1S/C4H8ClNO2S.ClH/c5-3-1-9(7,8)2-4(3)6;/h3-4H,1-2,6H2;1H
InChIKey
MKBVEVDILHMLNA-UHFFFAOYSA-N
Canonic Smiles
ClC1CS(=O)(=O)CC1N.Cl
Isomeric Smiles
S1(=O)(=O)CC(C(C1)Cl)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3646536
LogD (pH = 7.4)
-1.6884389
Log P
-1.1810781
Molar Refractivity
34.2043
Polarizability
15.034281
Polar Surface Area
60.16
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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