CID 146816800

C24H15BClO2 — CID 146816800

IUPAC—
SMILESO[B]c1ccc(Cl)c2c1oc1c(-c3ccccc3)cc(-c3ccccc3)cc12
InChIInChI=1S/C24H15BClO2/c26-21-12-11-20(25-27)24-22(21)19-14-17(15-7-3-1-4-8-15)13-18(23(19)28-24)16-9-5-2-6-10-16/h1-14,27H
InChIKeyGYSVVTAKGKGCLI-UHFFFAOYSA-N
MW381.65 g/mol
LogP5.81
Rot. Bonds3

About CID 146816800

CID 146816800 (PubChem CID 146816800) has the molecular formula C24H15BClO2 and a molecular weight of 381.65 g/mol.

Molecular Properties

Compound NameCID 146816800
PubChem CID146816800
Molecular FormulaC24H15BClO2
Molecular Weight381.65 g/mol
Exact Mass381.09
IUPAC Name—
SMILESO[B]c1ccc(Cl)c2c1oc1c(-c3ccccc3)cc(-c3ccccc3)cc12
InChIInChI=1S/C24H15BClO2/c26-21-12-11-20(25-27)24-22(21)19-14-17(15-7-3-1-4-8-15)13-18(23(19)28-24)16-9-5-2-6-10-16/h1-14,27H
InChIKeyGYSVVTAKGKGCLI-UHFFFAOYSA-N
XLogP5.81
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 146816800?
The IUPAC name of CID 146816800 (CID 146816800) is not available.
What is the SMILES notation for CID 146816800?
The canonical SMILES for CID 146816800 is O[B]c1ccc(Cl)c2c1oc1c(-c3ccccc3)cc(-c3ccccc3)cc12.
What is the InChIKey of CID 146816800?
The InChIKey is GYSVVTAKGKGCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BClO2/c26-21-12-11-20(25-27)24-22(21)19-14-17(15-7-3-1-4-8-15)13-18(23(19)28-24)16-9-5-2-6-10-16/h1-14,27H.
What are the key properties of CID 146816800?
CID 146816800 has a molecular weight of 381.65 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146816800 is sourced from PubChem (CID 146816800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).