Molecule

ID:124926

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₃S
Molecular Mass
257.69342
Exact Mass
256.9913418
Charge
0
InChI
InChI=1S/C10H8ClNO3S/c1-7-12-6-10(15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3
InChIKey
ACSNDJTZQWNDQK-UHFFFAOYSA-N
Canonic Smiles
Cc1ncc(o1)c1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(c2oc(nc2)C)cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5516989
LogD (pH = 7.4)
1.551731
Log P
1.5517315
Molar Refractivity
60.416
Polarizability
25.081099
Polar Surface Area
60.17
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
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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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