Molecule

ID:43273

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO₃S
Molecular Mass
273.73588
Exact Mass
273.02264193
Charge
0
InChI
InChI=1S/C11H12ClNO3S/c1-7-5-9-6-10(17(12,15)16)3-4-11(9)13(7)8(2)14/h3-4,6-7H,5H2,1-2H3
InChIKey
VMIKNPLJAZXOOM-UHFFFAOYSA-N
Canonic Smiles
CC1Cc2c(N1C(=O)C)ccc(c2)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc2c(N(C(C2)C)C(=O)C)cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4777888
LogD (pH = 7.4)
1.4777888
Log P
1.4777888
Molar Refractivity
65.9595
Polarizability
26.102077
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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