CID 23566623

C14H14BNO5 — CID 23566623

IUPAC—
SMILES[B]C(=O)NC1COC(=O)CC(c2ccccc2)C(=O)OC1
InChIInChI=1S/C14H14BNO5/c15-14(19)16-10-7-20-12(17)6-11(13(18)21-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,19)
InChIKeyQSICAQUHGWWUFJ-UHFFFAOYSA-N
MW287.08 g/mol
LogP0.51
Rot. Bonds2

About CID 23566623

CID 23566623 (PubChem CID 23566623) has the molecular formula C14H14BNO5 and a molecular weight of 287.08 g/mol.

Molecular Properties

Compound NameCID 23566623
PubChem CID23566623
Molecular FormulaC14H14BNO5
Molecular Weight287.08 g/mol
Exact Mass287.10
IUPAC Name—
SMILES[B]C(=O)NC1COC(=O)CC(c2ccccc2)C(=O)OC1
InChIInChI=1S/C14H14BNO5/c15-14(19)16-10-7-20-12(17)6-11(13(18)21-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,19)
InChIKeyQSICAQUHGWWUFJ-UHFFFAOYSA-N
XLogP0.51
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.08
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 23566623?
The IUPAC name of CID 23566623 (CID 23566623) is not available.
What is the SMILES notation for CID 23566623?
The canonical SMILES for CID 23566623 is [B]C(=O)NC1COC(=O)CC(c2ccccc2)C(=O)OC1.
What is the InChIKey of CID 23566623?
The InChIKey is QSICAQUHGWWUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BNO5/c15-14(19)16-10-7-20-12(17)6-11(13(18)21-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,19).
What are the key properties of CID 23566623?
CID 23566623 has a molecular weight of 287.08 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23566623 is sourced from PubChem (CID 23566623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).