CID 140800370

C17H10IrNO- — CID 140800370

IUPAC—
SMILES[Ir].[c-]1cccc2c1-c1ncccc1-c1ccccc1O2
InChIInChI=1S/C17H10NO.Ir/c1-3-9-15-12(6-1)13-8-5-11-18-17(13)14-7-2-4-10-16(14)19-15;/h1-6,8-11H;/q-1;
InChIKeyZNGZULGYXZBZME-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.32
Rot. Bonds

About CID 140800370

CID 140800370 (PubChem CID 140800370) has the molecular formula C17H10IrNO- and a molecular weight of 436.49 g/mol.

Molecular Properties

Compound NameCID 140800370
PubChem CID140800370
Molecular FormulaC17H10IrNO-
Molecular Weight436.49 g/mol
Exact Mass437.04
IUPAC Name—
SMILES[Ir].[c-]1cccc2c1-c1ncccc1-c1ccccc1O2
InChIInChI=1S/C17H10NO.Ir/c1-3-9-15-12(6-1)13-8-5-11-18-17(13)14-7-2-4-10-16(14)19-15;/h1-6,8-11H;/q-1;
InChIKeyZNGZULGYXZBZME-UHFFFAOYSA-N
XLogP4.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 140800370?
The IUPAC name of CID 140800370 (CID 140800370) is not available.
What is the SMILES notation for CID 140800370?
The canonical SMILES for CID 140800370 is [Ir].[c-]1cccc2c1-c1ncccc1-c1ccccc1O2.
What is the InChIKey of CID 140800370?
The InChIKey is ZNGZULGYXZBZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10NO.Ir/c1-3-9-15-12(6-1)13-8-5-11-18-17(13)14-7-2-4-10-16(14)19-15;/h1-6,8-11H;/q-1;.
What are the key properties of CID 140800370?
CID 140800370 has a molecular weight of 436.49 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140800370 is sourced from PubChem (CID 140800370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).