Molecule

ID:75464

General Information
Structure
Molecular Formula
C₉H₁₁ClN₂O₂S
Molecular Mass
246.71384
Exact Mass
246.02297628
Charge
0
InChI
InChI=1S/C9H11ClN2O2S/c10-9-8(4-3-5-11-9)15(13,14)12-6-1-2-7-12/h3-5H,1-2,6-7H2
InChIKey
BQNRIDNMAGXHAV-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1S(=O)(=O)N1CCCC1
Isomeric Smiles
N1(CCCC1)S(=O)(=O)c1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0389756
LogD (pH = 7.4)
1.0389756
Log P
1.0389756
Molar Refractivity
59.2595
Polarizability
23.389774
Polar Surface Area
50.27
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
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Molecule Details
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References
Bioactivity
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