CID 89281237

C9H10BO — CID 89281237

IUPAC—
SMILESO[B]/C=C/Cc1ccccc1
InChIInChI=1S/C9H10BO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-6,8,11H,7H2/b8-4+
InChIKeyPJGPJAFSMBBWBY-XBXARRHUSA-N
MW144.99 g/mol
LogP1.35
Rot. Bonds3

About CID 89281237

CID 89281237 (PubChem CID 89281237) has the molecular formula C9H10BO and a molecular weight of 144.99 g/mol.

Molecular Properties

Compound NameCID 89281237
PubChem CID89281237
Molecular FormulaC9H10BO
Molecular Weight144.99 g/mol
Exact Mass145.08
IUPAC Name—
SMILESO[B]/C=C/Cc1ccccc1
InChIInChI=1S/C9H10BO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-6,8,11H,7H2/b8-4+
InChIKeyPJGPJAFSMBBWBY-XBXARRHUSA-N
XLogP1.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.99
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89281237?
The IUPAC name of CID 89281237 (CID 89281237) is not available.
What is the SMILES notation for CID 89281237?
The canonical SMILES for CID 89281237 is O[B]/C=C/Cc1ccccc1.
What is the InChIKey of CID 89281237?
The InChIKey is PJGPJAFSMBBWBY-XBXARRHUSA-N. The full InChI is InChI=1S/C9H10BO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-6,8,11H,7H2/b8-4+.
What are the key properties of CID 89281237?
CID 89281237 has a molecular weight of 144.99 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89281237 is sourced from PubChem (CID 89281237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).