CID 163797603

C24H15BNO — CID 163797603

About CID 163797603

CID 163797603 (PubChem CID 163797603) has the molecular formula C24H15BNO and a molecular weight of 344.20 g/mol.

Molecular Properties

• Compound Name: CID 163797603
• PubChem CID: 163797603
• Molecular Formula: C24H15BNO
• Molecular Weight: 344.20 g/mol
• Exact Mass: 344.12
• IUPAC Name: —
• SMILES: O[B]c1ccc(-c2ccc3c4cccc5c6ccccc6n(c3c2)c54)cc1
• InChI: InChI=1S/C24H15BNO/c27-25-17-11-8-15(9-12-17)16-10-13-19-21-6-3-5-20-18-4-1-2-7-22(18)26(24(20)21)23(19)14-16/h1-14,27H
• InChIKey: CSXVYBALJVFGPW-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 24.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.20
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 163797603?

The IUPAC name of CID 163797603 (CID 163797603) is not available.

What is the SMILES notation for CID 163797603?

The canonical SMILES for CID 163797603 is O[B]c1ccc(-c2ccc3c4cccc5c6ccccc6n(c3c2)c54)cc1.

What is the InChIKey of CID 163797603?

The InChIKey is CSXVYBALJVFGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BNO/c27-25-17-11-8-15(9-12-17)16-10-13-19-21-6-3-5-20-18-4-1-2-7-22(18)26(24(20)21)23(19)14-16/h1-14,27H.

What are the key properties of CID 163797603?

CID 163797603 has a molecular weight of 344.20 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 163797603 is sourced from PubChem (CID 163797603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).