8-hydroxy-7-nitrosophenazine-2-sulfonic acid

C12H7N3O5S — CID 146386159

IUPAC8-hydroxy-7-nitrosophenazine-2-sulfonic acid
SMILESO=Nc1cc2nc3ccc(S(=O)(=O)O)cc3nc2cc1O
InChIInChI=1S/C12H7N3O5S/c16-12-5-10-9(4-11(12)15-17)13-7-2-1-6(21(18,19)20)3-8(7)14-10/h1-5,16H,(H,18,19,20)
InChIKeyZGUZMGYYYKRWFB-UHFFFAOYSA-N
MW305.27 g/mol
LogP2.13
Rot. Bonds2

About 8-hydroxy-7-nitrosophenazine-2-sulfonic acid

8-hydroxy-7-nitrosophenazine-2-sulfonic acid (PubChem CID 146386159) has the molecular formula C12H7N3O5S and a molecular weight of 305.27 g/mol. Its IUPAC name is 8-hydroxy-7-nitrosophenazine-2-sulfonic acid.

Molecular Properties

Compound Name8-hydroxy-7-nitrosophenazine-2-sulfonic acid
PubChem CID146386159
Molecular FormulaC12H7N3O5S
Molecular Weight305.27 g/mol
Exact Mass305.01
IUPAC Name8-hydroxy-7-nitrosophenazine-2-sulfonic acid
SMILESO=Nc1cc2nc3ccc(S(=O)(=O)O)cc3nc2cc1O
InChIInChI=1S/C12H7N3O5S/c16-12-5-10-9(4-11(12)15-17)13-7-2-1-6(21(18,19)20)3-8(7)14-10/h1-5,16H,(H,18,19,20)
InChIKeyZGUZMGYYYKRWFB-UHFFFAOYSA-N
XLogP2.13
TPSA129.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-bromoquinoxaline-6-sulfonic acid;hydrobromide
CID 88784488
7-hydroxy-9-methoxyphenazine-2-sulfonic acid
CID 146386121
3-hydroxy-4-[2-[(2-hydroxy-4-sulfophenyl)methylideneamino]ethyliminomethyl]benzenesulfonic acid
CID 135800105
6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron
CID 175582411
ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid
CID 156832576
2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT
CID 126959684
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
CID 87126465
CID 87126465
3-hydroxy-4-nitrosonaphthalene-2,7-disulfonic acid;hydrate
CID 155168760
7-chlorophenazine-2-sulfonamide
CID 121010927
4-methanehydrazonoylbenzene-1,3-disulfonic acid
CID 88636165
4-[(Z)-hydroxyiminomethyl]benzene-1,3-disulfonic acid
CID 172922942

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-nitrosophenazine-2-sulfonic acid?
The IUPAC name of 8-hydroxy-7-nitrosophenazine-2-sulfonic acid (CID 146386159) is 8-hydroxy-7-nitrosophenazine-2-sulfonic acid.
What is the SMILES notation for 8-hydroxy-7-nitrosophenazine-2-sulfonic acid?
The canonical SMILES for 8-hydroxy-7-nitrosophenazine-2-sulfonic acid is O=Nc1cc2nc3ccc(S(=O)(=O)O)cc3nc2cc1O.
What is the InChIKey of 8-hydroxy-7-nitrosophenazine-2-sulfonic acid?
The InChIKey is ZGUZMGYYYKRWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O5S/c16-12-5-10-9(4-11(12)15-17)13-7-2-1-6(21(18,19)20)3-8(7)14-10/h1-5,16H,(H,18,19,20).
What are the key properties of 8-hydroxy-7-nitrosophenazine-2-sulfonic acid?
8-hydroxy-7-nitrosophenazine-2-sulfonic acid has a molecular weight of 305.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-nitrosophenazine-2-sulfonic acid is sourced from PubChem (CID 146386159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).