Molecule

ID:30110

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClNO₃S
Molecular Mass
243.75142
Exact Mass
243.06959212
Charge
0
InChI
InChI=1S/C8H17NO3S.ClH/c1-6(2)3-9-7-4-13(11,12)5-8(7)10;/h6-10H,3-5H2,1-2H3;1H
InChIKey
MONXHJVICMVKOM-UHFFFAOYSA-N
Canonic Smiles
CC(CNC1CS(=O)(=O)CC1O)C.Cl
Isomeric Smiles
S1(=O)(=O)CC(C(C1)O)NCC(C)C.Cl
Calculated Properties
JChem
Acid pKa
13.720758
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.6815534
LogD (pH = 7.4)
-2.016793
Log P
-0.85878634
Molar Refractivity
49.6721
Polarizability
21.10108
Polar Surface Area
66.4
Rotatable Bonds
3
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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