CID 134991548

C17H14Cl2PPd — CID 134991548

IUPAC—
SMILESCl[Pd]Cl.[CH]1C=CC=C1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14P.2ClH.Pd/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;/h1-14H;2*1H;/q;;;+2/p-2
InChIKeyRNQOINACGVXGLV-UHFFFAOYSA-L
MW426.60 g/mol
LogP5.15
Rot. Bonds3

About CID 134991548

CID 134991548 (PubChem CID 134991548) has the molecular formula C17H14Cl2PPd and a molecular weight of 426.60 g/mol.

Molecular Properties

Compound NameCID 134991548
PubChem CID134991548
Molecular FormulaC17H14Cl2PPd
Molecular Weight426.60 g/mol
Exact Mass424.92
IUPAC Name—
SMILESCl[Pd]Cl.[CH]1C=CC=C1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14P.2ClH.Pd/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;/h1-14H;2*1H;/q;;;+2/p-2
InChIKeyRNQOINACGVXGLV-UHFFFAOYSA-L
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134991548?
The IUPAC name of CID 134991548 (CID 134991548) is not available.
What is the SMILES notation for CID 134991548?
The canonical SMILES for CID 134991548 is Cl[Pd]Cl.[CH]1C=CC=C1P(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 134991548?
The InChIKey is RNQOINACGVXGLV-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H14P.2ClH.Pd/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;/h1-14H;2*1H;/q;;;+2/p-2.
What are the key properties of CID 134991548?
CID 134991548 has a molecular weight of 426.60 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134991548 is sourced from PubChem (CID 134991548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).