Molecule

ID:131710

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃ClN₂OS
Molecular Mass
184.68752
Exact Mass
184.04371173
Charge
0
InChI
InChI=1S/C5H12N2OS.ClH/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H2,7,8);1H/t4-;/m0./s1
InChIKey
PWCBMJHINDTXGV-WCCKRBBISA-N
Canonic Smiles
CSCC[C@@H](C(=O)N)N.Cl
Isomeric Smiles
CSCC[C@@H](C(=O)N)N.Cl
Calculated Properties
JChem
Acid pKa
16.43072
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.4082367
LogD (pH = 7.4)
-1.7922662
Log P
-0.7342256
Molar Refractivity
39.4082
Polarizability
15.743402
Polar Surface Area
69.11
Rotatable Bonds
4
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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