Molecule

ID:75458

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₂O₃S
Molecular Mass
262.71324
Exact Mass
262.0178909
Charge
0
InChI
InChI=1S/C9H11ClN2O3S/c10-9-8(2-1-3-11-9)16(13,14)12-4-6-15-7-5-12/h1-3H,4-7H2
InChIKey
YCOYJCWIMIBSNF-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1S(=O)(=O)N1CCOCC1
Isomeric Smiles
O=S(=O)(c1cccnc1Cl)N1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.41467768
LogD (pH = 7.4)
0.41467768
Log P
0.41467768
Molar Refractivity
60.793
Polarizability
24.138836
Polar Surface Area
59.5
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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