Molecule
ID:124171
General Information
Molecular Formula
C₄H₁₁ClN₂O₃S
Molecular Mass
202.65974
Exact Mass
202.0178909
Charge
0
InChI
InChI=1S/C4H10N2O3S.ClH/c5-6-3-1-10(8,9)2-4(3)7;/h3-4,6-7H,1-2,5H2;1H
InChIKey
LOZYGZVOLIRHCH-UHFFFAOYSA-N
Canonic Smiles
NNC1CS(=O)(=O)CC1O.Cl
Isomeric Smiles
S1(=O)(=O)CC(C(C1)O)NN.Cl
Calculated Properties
JChem
Acid pKa
13.676654
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.760739
LogD (pH = 7.4)
-2.7208586
Log P
-2.7203252
Molar Refractivity
46.1302
Polarizability
15.15248
Polar Surface Area
92.42
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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