Molecule

ID:50674

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClO₃S
Molecular Mass
244.69466
Exact Mass
243.99609283
Charge
0
InChI
InChI=1S/C10H9ClO3S/c11-15(13,14)8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2
InChIKey
MMZRMUIHNXQIRT-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCc2c1cc(cc2)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc2C(=O)CCCc2cc1)Cl
Calculated Properties
JChem
Acid pKa
16.317673
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2274277
LogD (pH = 7.4)
2.2274277
Log P
2.2274277
Molar Refractivity
58.5209
Polarizability
23.109154
Polar Surface Area
51.21
Rotatable Bonds
1
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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