CID 172744978

H4NNaO7P — CID 172744978

IUPAC—
SMILESO=P(O)(O)O.O=[N+]([O-])O.[Na]
InChIInChI=1S/HNO3.Na.H3O4P/c2-1(3)4;;1-5(2,3)4/h(H,2,3,4);;(H3,1,2,3,4)
InChIKeyJPFPQLSSLFFHHZ-UHFFFAOYSA-N
MW184.00 g/mol
LogP-1.66
Rot. Bonds

About CID 172744978

CID 172744978 (PubChem CID 172744978) has the molecular formula H4NNaO7P and a molecular weight of 184.00 g/mol.

Molecular Properties

Compound NameCID 172744978
PubChem CID172744978
Molecular FormulaH4NNaO7P
Molecular Weight184.00 g/mol
Exact Mass183.96
IUPAC Name—
SMILESO=P(O)(O)O.O=[N+]([O-])O.[Na]
InChIInChI=1S/HNO3.Na.H3O4P/c2-1(3)4;;1-5(2,3)4/h(H,2,3,4);;(H3,1,2,3,4)
InChIKeyJPFPQLSSLFFHHZ-UHFFFAOYSA-N
XLogP-1.66
TPSA141.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.00
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 172744978?
The IUPAC name of CID 172744978 (CID 172744978) is not available.
What is the SMILES notation for CID 172744978?
The canonical SMILES for CID 172744978 is O=P(O)(O)O.O=[N+]([O-])O.[Na].
What is the InChIKey of CID 172744978?
The InChIKey is JPFPQLSSLFFHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/HNO3.Na.H3O4P/c2-1(3)4;;1-5(2,3)4/h(H,2,3,4);;(H3,1,2,3,4).
What are the key properties of CID 172744978?
CID 172744978 has a molecular weight of 184.00 g/mol, XLogP of -1.66, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172744978 is sourced from PubChem (CID 172744978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).