Molecule

ID:76156

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉Cl₂NO₃S
Molecular Mass
306.16506
Exact Mass
304.96801951
Charge
0
InChI
InChI=1S/C11H8ClNO3S.ClH/c12-17(14,15)10-6-4-9(5-7-10)16-11-3-1-2-8-13-11;/h1-8H;1H
InChIKey
PYOLUAWHHUHNDB-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(cc1)Oc1ccccn1.Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Oc1ncccc1)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7965052
LogD (pH = 7.4)
2.7966197
Log P
2.796621
Molar Refractivity
64.6496
Polarizability
25.833563
Polar Surface Area
56.26
Rotatable Bonds
3
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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