CID 156592461

HCaNO2 — CID 156592461

IUPAC—
SMILESO=NO.[Ca]
InChIInChI=1S/Ca.HNO2/c;2-1-3/h;(H,2,3)
InChIKeyZXTSZWBPUXLRFJ-UHFFFAOYSA-N
MW87.09 g/mol
LogP-0.24
Rot. Bonds

About CID 156592461

CID 156592461 (PubChem CID 156592461) has the molecular formula HCaNO2 and a molecular weight of 87.09 g/mol.

Molecular Properties

Compound NameCID 156592461
PubChem CID156592461
Molecular FormulaHCaNO2
Molecular Weight87.09 g/mol
Exact Mass86.96
IUPAC Name—
SMILESO=NO.[Ca]
InChIInChI=1S/Ca.HNO2/c;2-1-3/h;(H,2,3)
InChIKeyZXTSZWBPUXLRFJ-UHFFFAOYSA-N
XLogP-0.24
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.09
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 156592461?
The IUPAC name of CID 156592461 (CID 156592461) is not available.
What is the SMILES notation for CID 156592461?
The canonical SMILES for CID 156592461 is O=NO.[Ca].
What is the InChIKey of CID 156592461?
The InChIKey is ZXTSZWBPUXLRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.HNO2/c;2-1-3/h;(H,2,3).
What are the key properties of CID 156592461?
CID 156592461 has a molecular weight of 87.09 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156592461 is sourced from PubChem (CID 156592461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).