CID 143501304

C8H8BO — CID 143501304

IUPAC—
SMILESCc1ccc2c(c1)CO[B]2
InChIInChI=1S/C8H8BO/c1-6-2-3-8-7(4-6)5-10-9-8/h2-4H,5H2,1H3
InChIKeyTYPUNEKYXQGHBY-UHFFFAOYSA-N
MW130.96 g/mol
LogP0.77
Rot. Bonds

About CID 143501304

CID 143501304 (PubChem CID 143501304) has the molecular formula C8H8BO and a molecular weight of 130.96 g/mol.

Molecular Properties

Compound NameCID 143501304
PubChem CID143501304
Molecular FormulaC8H8BO
Molecular Weight130.96 g/mol
Exact Mass131.07
IUPAC Name—
SMILESCc1ccc2c(c1)CO[B]2
InChIInChI=1S/C8H8BO/c1-6-2-3-8-7(4-6)5-10-9-8/h2-4H,5H2,1H3
InChIKeyTYPUNEKYXQGHBY-UHFFFAOYSA-N
XLogP0.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.96
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 143501304 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 143501304?
The IUPAC name of CID 143501304 (CID 143501304) is not available.
What is the SMILES notation for CID 143501304?
The canonical SMILES for CID 143501304 is Cc1ccc2c(c1)CO[B]2.
What is the InChIKey of CID 143501304?
The InChIKey is TYPUNEKYXQGHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BO/c1-6-2-3-8-7(4-6)5-10-9-8/h2-4H,5H2,1H3.
What are the key properties of CID 143501304?
CID 143501304 has a molecular weight of 130.96 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143501304 is sourced from PubChem (CID 143501304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).