Molecule

ID:57573

General Information
Structure
Molecular Formula
C₁₂H₁₀ClNO₃S
Molecular Mass
283.7307
Exact Mass
283.00699187
Charge
0
InChI
InChI=1S/C12H10ClNO3S/c1-8(15)14-11-6-7-12(18(13,16)17)10-5-3-2-4-9(10)11/h2-7H,1H3,(H,14,15)
InChIKey
OMCFQVVRMGXXAF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(c2c1cccc2)S(=O)(=O)Cl
Isomeric Smiles
c1(c2ccccc2c(cc1)S(=O)(=O)Cl)NC(=O)C
Calculated Properties
JChem
Acid pKa
12.856232
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.146736
LogD (pH = 7.4)
2.1467345
Log P
2.146736
Molar Refractivity
71.5654
Polarizability
28.744738
Polar Surface Area
63.24
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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