CID 158179460

Li2O19 — CID 158179460

IUPAC
SMILES[Li+].[Li+].[O-]OOOOOOOOOOOOOOOOO[O-]
InChIInChI=1S/2Li.H2O19/c;;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h;;1-2H/q2*+1;/p-2
InChIKeyGOTIOICWINWDOI-UHFFFAOYSA-L
MW317.86 g/mol
LogP-9.53
Rot. Bonds16

About CID 158179460

CID 158179460 (PubChem CID 158179460) has the molecular formula Li2O19 and a molecular weight of 317.86 g/mol.

Molecular Properties

Compound NameCID 158179460
PubChem CID158179460
Molecular FormulaLi2O19
Molecular Weight317.86 g/mol
Exact Mass317.94
IUPAC Name
SMILES[Li+].[Li+].[O-]OOOOOOOOOOOOOOOOO[O-]
InChIInChI=1S/2Li.H2O19/c;;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h;;1-2H/q2*+1;/p-2
InChIKeyGOTIOICWINWDOI-UHFFFAOYSA-L
XLogP-9.53
TPSA203.03 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.86
LogP ≤ 5-9.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze CID 158179460 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 158179460?
The IUPAC name of CID 158179460 (CID 158179460) is not available.
What is the SMILES notation for CID 158179460?
The canonical SMILES for CID 158179460 is [Li+].[Li+].[O-]OOOOOOOOOOOOOOOOO[O-].
What is the InChIKey of CID 158179460?
The InChIKey is GOTIOICWINWDOI-UHFFFAOYSA-L. The full InChI is InChI=1S/2Li.H2O19/c;;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h;;1-2H/q2*+1;/p-2.
What are the key properties of CID 158179460?
CID 158179460 has a molecular weight of 317.86 g/mol, XLogP of -9.53, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158179460 is sourced from PubChem (CID 158179460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).