lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride

C15H9LiO4 — CID 174801705

IUPAClithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
SMILESO=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.[H-].[Li+]
InChIInChI=1S/C15H8O4.Li.H/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13;;/h1-7H,(H,18,19);;/q;+1;-1
InChIKeyFWQPJIAKIRNMEQ-UHFFFAOYSA-N
MW260.17 g/mol
LogP-0.72
Rot. Bonds1

About lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride

lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride (PubChem CID 174801705) has the molecular formula C15H9LiO4 and a molecular weight of 260.17 g/mol. Its IUPAC name is lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride.

Molecular Properties

Compound Namelithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
PubChem CID174801705
Molecular FormulaC15H9LiO4
Molecular Weight260.17 g/mol
Exact Mass260.07
IUPAC Namelithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
SMILESO=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.[H-].[Li+]
InChIInChI=1S/C15H8O4.Li.H/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13;;/h1-7H,(H,18,19);;/q;+1;-1
InChIKeyFWQPJIAKIRNMEQ-UHFFFAOYSA-N
XLogP-0.72
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride 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 lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride?
The IUPAC name of lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride (CID 174801705) is lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride.
What is the SMILES notation for lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride?
The canonical SMILES for lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride is O=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.[H-].[Li+].
What is the InChIKey of lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride?
The InChIKey is FWQPJIAKIRNMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O4.Li.H/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13;;/h1-7H,(H,18,19);;/q;+1;-1.
What are the key properties of lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride?
lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride has a molecular weight of 260.17 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride is sourced from PubChem (CID 174801705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).