CID 170850198

H3CaKNO4 — CID 170850198

IUPAC—
SMILESO.O=[N+]([O-])O.[Ca].[K]
InChIInChI=1S/Ca.K.HNO3.H2O/c;;2-1(3)4;/h;;(H,2,3,4);1H2
InChIKeyPUIZQDIARVXKJH-UHFFFAOYSA-N
MW160.20 g/mol
LogP-1.93
Rot. Bonds

About CID 170850198

CID 170850198 (PubChem CID 170850198) has the molecular formula H3CaKNO4 and a molecular weight of 160.20 g/mol.

Molecular Properties

Compound NameCID 170850198
PubChem CID170850198
Molecular FormulaH3CaKNO4
Molecular Weight160.20 g/mol
Exact Mass159.93
IUPAC Name—
SMILESO.O=[N+]([O-])O.[Ca].[K]
InChIInChI=1S/Ca.K.HNO3.H2O/c;;2-1(3)4;/h;;(H,2,3,4);1H2
InChIKeyPUIZQDIARVXKJH-UHFFFAOYSA-N
XLogP-1.93
TPSA94.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-1.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 170850198?
The IUPAC name of CID 170850198 (CID 170850198) is not available.
What is the SMILES notation for CID 170850198?
The canonical SMILES for CID 170850198 is O.O=[N+]([O-])O.[Ca].[K].
What is the InChIKey of CID 170850198?
The InChIKey is PUIZQDIARVXKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.K.HNO3.H2O/c;;2-1(3)4;/h;;(H,2,3,4);1H2.
What are the key properties of CID 170850198?
CID 170850198 has a molecular weight of 160.20 g/mol, XLogP of -1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170850198 is sourced from PubChem (CID 170850198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).