Molecule

ID:104308

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO₂S
Molecular Mass
199.69886
Exact Mass
199.04337737
Charge
0
InChI
InChI=1S/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/m1./s1
InChIKey
MEVUPUNLVKELNV-NUBCRITNSA-N
Canonic Smiles
CSCC[C@H](C(=O)OC)N.Cl
Isomeric Smiles
Cl.COC(=O)[C@H](N)CCSC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6321867
LogD (pH = 7.4)
-0.06930845
Log P
0.21861112
Molar Refractivity
42.3551
Polarizability
17.147015
Polar Surface Area
52.32
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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