Molecule

ID:113437

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO₃S
Molecular Mass
295.7414
Exact Mass
295.00699187
Charge
0
InChI
InChI=1S/C13H10ClNO3S/c1-2-15-10-6-7-11(19(14,17)18)8-4-3-5-9(12(8)10)13(15)16/h3-7H,2H2,1H3
InChIKey
YHNPFOVWPDMOEW-UHFFFAOYSA-N
Canonic Smiles
CCn1c2ccc(c3c2c(c1=O)ccc3)S(=O)(=O)Cl
Isomeric Smiles
n1(c(=O)c2c3c1ccc(S(=O)(=O)Cl)c3ccc2)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2485387
LogD (pH = 7.4)
2.2485387
Log P
2.2485387
Molar Refractivity
74.0424
Polarizability
29.840162
Polar Surface Area
54.45
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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