Molecule

ID:114757

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO₂S
Molecular Mass
191.29108
Exact Mass
191.09799979
Charge
0
InChI
InChI=1S/C8H17NO2S/c1-2-3-5-9-8-4-6-12(10,11)7-8/h8-9H,2-7H2,1H3
InChIKey
DROVFJSAGGLUJN-UHFFFAOYSA-N
Canonic Smiles
CCCCNC1CCS(=O)(=O)C1
Isomeric Smiles
S1(=O)(=O)CC(CC1)NCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.116017
LogD (pH = 7.4)
-1.6282159
Log P
-0.08889584
Molar Refractivity
49.118
Polarizability
20.447124
Polar Surface Area
46.17
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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