Structure

InChI Key JCOHXVDKRMWUQP-UHFFFAOYSA-M
Smile O=C([N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl.[Na+]
InChI
InChI=1S/C11H6BrCl2NO3S2.Na/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14;/h1-5H,(H,15,16);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H5BrCl2NNaO3S2
Molecular Weight 437.1
AlogP 3.94
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 63.24
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 20.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Melanoma 3 D008545 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2103823
FDA SRS O3955SHR9J
PubChem 23718384