CID 88973644

C6H6B2O2 — CID 88973644

IUPAC—
SMILES[B]c1cccc(B(O)O)c1
InChIInChI=1S/C6H6B2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4,9-10H
InChIKeyMTBROTAGAJAFNO-UHFFFAOYSA-N
MW131.74 g/mol
LogP-1.84
Rot. Bonds1

About CID 88973644

CID 88973644 (PubChem CID 88973644) has the molecular formula C6H6B2O2 and a molecular weight of 131.74 g/mol.

Molecular Properties

Compound NameCID 88973644
PubChem CID88973644
Molecular FormulaC6H6B2O2
Molecular Weight131.74 g/mol
Exact Mass132.06
IUPAC Name—
SMILES[B]c1cccc(B(O)O)c1
InChIInChI=1S/C6H6B2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4,9-10H
InChIKeyMTBROTAGAJAFNO-UHFFFAOYSA-N
XLogP-1.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.74
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 88973644 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 88973644?
The IUPAC name of CID 88973644 (CID 88973644) is not available.
What is the SMILES notation for CID 88973644?
The canonical SMILES for CID 88973644 is [B]c1cccc(B(O)O)c1.
What is the InChIKey of CID 88973644?
The InChIKey is MTBROTAGAJAFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6B2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4,9-10H.
What are the key properties of CID 88973644?
CID 88973644 has a molecular weight of 131.74 g/mol, XLogP of -1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88973644 is sourced from PubChem (CID 88973644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).