CID 23443898

C16H10BClNO4 — CID 23443898

IUPAC—
SMILESO=c1c(Cl)c2oc3ccccc3nc-2c2ccccc12.O[B]O
InChIInChI=1S/C16H8ClNO2.BH2O2/c17-13-15(19)10-6-2-1-5-9(10)14-16(13)20-12-8-4-3-7-11(12)18-14;2-1-3/h1-8H;2-3H
InChIKeyZWRSNCYHLXCFKI-UHFFFAOYSA-N
MW326.52 g/mol
LogP2.60
Rot. Bonds

About CID 23443898

CID 23443898 (PubChem CID 23443898) has the molecular formula C16H10BClNO4 and a molecular weight of 326.52 g/mol.

Molecular Properties

Compound NameCID 23443898
PubChem CID23443898
Molecular FormulaC16H10BClNO4
Molecular Weight326.52 g/mol
Exact Mass326.04
IUPAC Name—
SMILESO=c1c(Cl)c2oc3ccccc3nc-2c2ccccc12.O[B]O
InChIInChI=1S/C16H8ClNO2.BH2O2/c17-13-15(19)10-6-2-1-5-9(10)14-16(13)20-12-8-4-3-7-11(12)18-14;2-1-3/h1-8H;2-3H
InChIKeyZWRSNCYHLXCFKI-UHFFFAOYSA-N
XLogP2.60
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 23443898?
The IUPAC name of CID 23443898 (CID 23443898) is not available.
What is the SMILES notation for CID 23443898?
The canonical SMILES for CID 23443898 is O=c1c(Cl)c2oc3ccccc3nc-2c2ccccc12.O[B]O.
What is the InChIKey of CID 23443898?
The InChIKey is ZWRSNCYHLXCFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClNO2.BH2O2/c17-13-15(19)10-6-2-1-5-9(10)14-16(13)20-12-8-4-3-7-11(12)18-14;2-1-3/h1-8H;2-3H.
What are the key properties of CID 23443898?
CID 23443898 has a molecular weight of 326.52 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23443898 is sourced from PubChem (CID 23443898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).