Molecule
ID:122488
General Information
Molecular Formula
C₇H₁₅NO₃S
Molecular Mass
193.2639
Exact Mass
193.07726435
Charge
0
InChI
InChI=1S/C7H15NO3S/c9-4-1-3-8-7-2-5-12(10,11)6-7/h7-9H,1-6H2
InChIKey
NISKLSCSMCPVCA-UHFFFAOYSA-N
Canonic Smiles
OCCCNC1CCS(=O)(=O)C1
Isomeric Smiles
S1(=O)(=O)CC(CC1)NCCCO
Calculated Properties
JChem
Acid pKa
15.933824
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.8209686
LogD (pH = 7.4)
-3.1364639
Log P
-2.042937
Molar Refractivity
46.4021
Polarizability
19.272625
Polar Surface Area
66.4
Rotatable Bonds
4
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
No Data Available
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Related Proteins
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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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