Molecule

ID:124129

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O₂S
Molecular Mass
256.70866
Exact Mass
256.00732622
Charge
0
InChI
InChI=1S/C10H9ClN2O2S/c1-8-3-4-9(13-6-2-5-12-13)7-10(8)16(11,14)15/h2-7H,1H3
InChIKey
VTDPIPJSPHXLRL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1S(=O)(=O)Cl)n1cccn1
Isomeric Smiles
S(=O)(=O)(c1cc(n2nccc2)ccc1C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5187316
LogD (pH = 7.4)
2.518788
Log P
2.5187888
Molar Refractivity
63.6551
Polarizability
25.219423
Polar Surface Area
51.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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