Molecule

ID:54225

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O₂S
Molecular Mass
256.70866
Exact Mass
256.00732622
Charge
0
InChI
InChI=1S/C10H9ClN2O2S/c1-13-7-6-9(12-13)8-4-2-3-5-10(8)16(11,14)15/h2-7H,1H3
InChIKey
DWMIZWPEPRMNDF-UHFFFAOYSA-N
Canonic Smiles
Cn1ccc(n1)c1ccccc1S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1c(c2ccn(n2)C)cccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3804412
LogD (pH = 7.4)
2.380484
Log P
2.3804846
Molar Refractivity
73.9198
Polarizability
25.881182
Polar Surface Area
51.96
Rotatable Bonds
2
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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