Molecule

ID:2999

General Information
Structure
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Molecular Formula
C₈H₁₇NO₃S
Molecular Mass
207.29048
Exact Mass
207.09291441
Charge
0
InChI
InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)
InChIKey
MKWKNSIESPFAQN-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)CCNC1CCCCC1
Isomeric Smiles
OS(=O)(=O)CCNC1CCCCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.59
LogD (pH = 5.5)
-0.59
Log P
-0.59
Rotatable Bonds
4
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
-1.15
Polar Surface Area
66.40
Polarizability
21.85
Molar Refractivity
50.39
LOG S
-0.73
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
No Data Available
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Molecule Details
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References
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Bioactivity
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