Molecule

ID:122583

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₄S
Molecular Mass
243.70836
Exact Mass
243.03320661
Charge
0
InChI
InChI=1S/C7H13NO4S.ClH/c1-12-7(9)4-8-6-2-3-13(10,11)5-6;/h6,8H,2-5H2,1H3;1H
InChIKey
DBHGPYWFOFFBNO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CNC1CCS(=O)(=O)C1.Cl
Isomeric Smiles
S1(=O)(=O)CC(NCC(=O)OC)CC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9037551
LogD (pH = 7.4)
-1.7905695
Log P
-1.7889175
Molar Refractivity
46.0981
Polarizability
19.48304
Polar Surface Area
72.47
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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