bismuth;calcium;pentanitrate

BiCaN5O15 — CID 160831581

IUPACbismuth;calcium;pentanitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Bi+3].[Ca+2]
InChIInChI=1S/Bi.Ca.5NO3/c;;5*2-1(3)4/q+3;+2;5*-1
InChIKeySGWCOLSYWDUBES-UHFFFAOYSA-N
MW559.08 g/mol
LogP-1.96
Rot. Bonds

About bismuth;calcium;pentanitrate

bismuth;calcium;pentanitrate (PubChem CID 160831581) has the molecular formula BiCaN5O15 and a molecular weight of 559.08 g/mol. Its IUPAC name is bismuth;calcium;pentanitrate.

Molecular Properties

Compound Namebismuth;calcium;pentanitrate
PubChem CID160831581
Molecular FormulaBiCaN5O15
Molecular Weight559.08 g/mol
Exact Mass558.88
IUPAC Namebismuth;calcium;pentanitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Bi+3].[Ca+2]
InChIInChI=1S/Bi.Ca.5NO3/c;;5*2-1(3)4/q+3;+2;5*-1
InChIKeySGWCOLSYWDUBES-UHFFFAOYSA-N
XLogP-1.96
TPSA331.00 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.08
LogP ≤ 5-1.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze bismuth;calcium;pentanitrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibismuth;hexanitrate;pentahydrate
CID 158893805
calcium;nitrate;hexahydrate
CID 22138076
dicalcium;tetranitrate;tetrahydrate
CID 157337195
aluminum;calcium;chloride;nitrate
CID 20633899
calcium;potassium;dinitrate;hydrate
CID 172855614
calcium;oxocopper;dinitrate
CID 174972937
bismuth;cobalt(2+);iron(2+);heptanitrate
CID 131723207
samarium trinitrate
CID 21321193
bis(osmium(4+));octanitrate
CID 158143113
gold dinitrate
CID 161234525
zinc dinitrate
CID 24518
technetium(7+) heptanitrate
CID 23031034

Frequently Asked Questions

What is the IUPAC name of bismuth;calcium;pentanitrate?
The IUPAC name of bismuth;calcium;pentanitrate (CID 160831581) is bismuth;calcium;pentanitrate.
What is the SMILES notation for bismuth;calcium;pentanitrate?
The canonical SMILES for bismuth;calcium;pentanitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Bi+3].[Ca+2].
What is the InChIKey of bismuth;calcium;pentanitrate?
The InChIKey is SGWCOLSYWDUBES-UHFFFAOYSA-N. The full InChI is InChI=1S/Bi.Ca.5NO3/c;;5*2-1(3)4/q+3;+2;5*-1.
What are the key properties of bismuth;calcium;pentanitrate?
bismuth;calcium;pentanitrate has a molecular weight of 559.08 g/mol, XLogP of -1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth;calcium;pentanitrate is sourced from PubChem (CID 160831581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).