Molecule

ID:19017

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO₃S
Molecular Mass
259.7093
Exact Mass
259.00699187
Charge
0
InChI
InChI=1S/C10H10ClNO3S/c1-7(13)12-5-4-8-6-9(16(11,14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3
InChIKey
QNFXLCHANYHGIF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc2c(N(C(=O)C)CC2)cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0612137
LogD (pH = 7.4)
1.0612137
Log P
1.0612137
Molar Refractivity
61.5407
Polarizability
24.277903
Polar Surface Area
54.45
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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