Molecule

ID:51182

General Information
Structure
Molecular Formula
C₅H₁₅ClN₂O₂S
Molecular Mass
202.7028
Exact Mass
202.05427641
Charge
0
InChI
InChI=1S/C5H14N2O2S.ClH/c1-7(2)10(8,9)5-3-4-6;/h3-6H2,1-2H3;1H
InChIKey
NBSOLHYHKCWMDS-UHFFFAOYSA-N
Canonic Smiles
NCCCS(=O)(=O)N(C)C.Cl
Isomeric Smiles
S(=O)(=O)(N(C)C)CCCN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.6812177
LogD (pH = 7.4)
-3.956436
Log P
-1.6727322
Molar Refractivity
40.7993
Polarizability
16.818632
Polar Surface Area
63.4
Rotatable Bonds
3
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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