CID 158889848

H6N2O3 — CID 158889848

IUPAC—
SMILESNN.OOO
InChIInChI=1S/H4N2.H2O3/c1-2;1-3-2/h1-2H2;1-2H
InChIKeyJEBYURNGHSRFRT-UHFFFAOYSA-N
MW82.06 g/mol
LogP-1.23
Rot. Bonds

About CID 158889848

CID 158889848 (PubChem CID 158889848) has the molecular formula H6N2O3 and a molecular weight of 82.06 g/mol.

Molecular Properties

Compound NameCID 158889848
PubChem CID158889848
Molecular FormulaH6N2O3
Molecular Weight82.06 g/mol
Exact Mass82.04
IUPAC Name—
SMILESNN.OOO
InChIInChI=1S/H4N2.H2O3/c1-2;1-3-2/h1-2H2;1-2H
InChIKeyJEBYURNGHSRFRT-UHFFFAOYSA-N
XLogP-1.23
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.06
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 158889848?
The IUPAC name of CID 158889848 (CID 158889848) is not available.
What is the SMILES notation for CID 158889848?
The canonical SMILES for CID 158889848 is NN.OOO.
What is the InChIKey of CID 158889848?
The InChIKey is JEBYURNGHSRFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N2.H2O3/c1-2;1-3-2/h1-2H2;1-2H.
What are the key properties of CID 158889848?
CID 158889848 has a molecular weight of 82.06 g/mol, XLogP of -1.23, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158889848 is sourced from PubChem (CID 158889848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).