Molecule
ID:114636
General Information
Molecular Formula
C₅H₁₀ClNO₃S
Molecular Mass
199.6558
Exact Mass
199.00699187
Charge
0
InChI
InChI=1S/C5H10ClNO3S/c6-5-11(8,9)7-1-3-10-4-2-7/h1-5H2
InChIKey
NBJXFXNCSRIIEQ-UHFFFAOYSA-N
Canonic Smiles
ClCS(=O)(=O)N1CCOCC1
Isomeric Smiles
S(=O)(=O)(N1CCOCC1)CCl
Calculated Properties
JChem
Acid pKa
19.87944
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.53302777
LogD (pH = 7.4)
-0.53302777
Log P
-0.53302777
Molar Refractivity
41.6458
Polarizability
17.263391
Polar Surface Area
46.61
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
No Data Available
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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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