anisole;molecular nitrogen;sulfuric acid

C7H10N2O5S — CID 174681459

IUPACanisole;molecular nitrogen;sulfuric acid
SMILESCOc1ccccc1.N#N.O=S(=O)(O)O
InChIInChI=1S/C7H8O.N2.H2O4S/c1-8-7-5-3-2-4-6-7;1-2;1-5(2,3)4/h2-6H,1H3;;(H2,1,2,3,4)
InChIKeyNDISBKOMTCFVEL-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.07
Rot. Bonds1

About anisole;molecular nitrogen;sulfuric acid

anisole;molecular nitrogen;sulfuric acid (PubChem CID 174681459) has the molecular formula C7H10N2O5S and a molecular weight of 234.23 g/mol. Its IUPAC name is anisole;molecular nitrogen;sulfuric acid.

Molecular Properties

Compound Nameanisole;molecular nitrogen;sulfuric acid
PubChem CID174681459
Molecular FormulaC7H10N2O5S
Molecular Weight234.23 g/mol
Exact Mass234.03
IUPAC Nameanisole;molecular nitrogen;sulfuric acid
SMILESCOc1ccccc1.N#N.O=S(=O)(O)O
InChIInChI=1S/C7H8O.N2.H2O4S/c1-8-7-5-3-2-4-6-7;1-2;1-5(2,3)4/h2-6H,1H3;;(H2,1,2,3,4)
InChIKeyNDISBKOMTCFVEL-UHFFFAOYSA-N
XLogP1.07
TPSA131.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of anisole;molecular nitrogen;sulfuric acid?
The IUPAC name of anisole;molecular nitrogen;sulfuric acid (CID 174681459) is anisole;molecular nitrogen;sulfuric acid.
What is the SMILES notation for anisole;molecular nitrogen;sulfuric acid?
The canonical SMILES for anisole;molecular nitrogen;sulfuric acid is COc1ccccc1.N#N.O=S(=O)(O)O.
What is the InChIKey of anisole;molecular nitrogen;sulfuric acid?
The InChIKey is NDISBKOMTCFVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.N2.H2O4S/c1-8-7-5-3-2-4-6-7;1-2;1-5(2,3)4/h2-6H,1H3;;(H2,1,2,3,4).
What are the key properties of anisole;molecular nitrogen;sulfuric acid?
anisole;molecular nitrogen;sulfuric acid has a molecular weight of 234.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;molecular nitrogen;sulfuric acid is sourced from PubChem (CID 174681459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).