1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C11H12N4O3S.Na/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9;/h2-7H,12H2,1H3,(H,13,15);

2.1.2 InChI Key

OXJYZDOWJGEHPO-UHFFFAOYSA-N

2.1.3 Canonical SMILES

COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N.[Na]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl11516439

2. Akos015855043

3. Akos015888801

4. D08540

2.3 Create Date

2010-07-01

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₂N₄NaO₃S
Molecular Weight	303.30 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	303.05278071 g/mol
Monoisotopic Mass	303.05278071 g/mol
Topological Polar Surface Area	116 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	376
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Sulfamethoxypyridazine Sodium Salt