sodium;benzene;boranuide

C6H10BNa — CID 174727023

IUPACsodium;benzene;boranuide
SMILES[BH4-].[Na+].c1ccccc1
InChIInChI=1S/C6H6.BH4.Na/c1-2-4-6-5-3-1;;/h1-6H;1H4;/q;-1;+1
InChIKeyWFFPFPDGHIUAFD-UHFFFAOYSA-N
MW115.95 g/mol
LogP-2.76
Rot. Bonds

About sodium;benzene;boranuide

sodium;benzene;boranuide (PubChem CID 174727023) has the molecular formula C6H10BNa and a molecular weight of 115.95 g/mol. Its IUPAC name is sodium;benzene;boranuide.

Molecular Properties

Compound Namesodium;benzene;boranuide
PubChem CID174727023
Molecular FormulaC6H10BNa
Molecular Weight115.95 g/mol
Exact Mass116.08
IUPAC Namesodium;benzene;boranuide
SMILES[BH4-].[Na+].c1ccccc1
InChIInChI=1S/C6H6.BH4.Na/c1-2-4-6-5-3-1;;/h1-6H;1H4;/q;-1;+1
InChIKeyWFFPFPDGHIUAFD-UHFFFAOYSA-N
XLogP-2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.95
LogP ≤ 5-2.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze sodium;benzene;boranuide 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 sodium;benzene;boranuide?
The IUPAC name of sodium;benzene;boranuide (CID 174727023) is sodium;benzene;boranuide.
What is the SMILES notation for sodium;benzene;boranuide?
The canonical SMILES for sodium;benzene;boranuide is [BH4-].[Na+].c1ccccc1.
What is the InChIKey of sodium;benzene;boranuide?
The InChIKey is WFFPFPDGHIUAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.BH4.Na/c1-2-4-6-5-3-1;;/h1-6H;1H4;/q;-1;+1.
What are the key properties of sodium;benzene;boranuide?
sodium;benzene;boranuide has a molecular weight of 115.95 g/mol, XLogP of -2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzene;boranuide is sourced from PubChem (CID 174727023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).