CID 173092419

C9H8AlFeMoO — CID 173092419

IUPAC—
SMILESC1=COc2ccccc2C1.[Al].[Fe].[Mo]
InChIInChI=1S/C9H8O.Al.Fe.Mo/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-4,6-7H,5H2;;;
InChIKeyMEJGTSIIZWKVGT-UHFFFAOYSA-N
MW310.93 g/mol
LogP1.75
Rot. Bonds

About CID 173092419

CID 173092419 (PubChem CID 173092419) has the molecular formula C9H8AlFeMoO and a molecular weight of 310.93 g/mol.

Molecular Properties

Compound NameCID 173092419
PubChem CID173092419
Molecular FormulaC9H8AlFeMoO
Molecular Weight310.93 g/mol
Exact Mass312.88
IUPAC Name—
SMILESC1=COc2ccccc2C1.[Al].[Fe].[Mo]
InChIInChI=1S/C9H8O.Al.Fe.Mo/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-4,6-7H,5H2;;;
InChIKeyMEJGTSIIZWKVGT-UHFFFAOYSA-N
XLogP1.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.93
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 173092419?
The IUPAC name of CID 173092419 (CID 173092419) is not available.
What is the SMILES notation for CID 173092419?
The canonical SMILES for CID 173092419 is C1=COc2ccccc2C1.[Al].[Fe].[Mo].
What is the InChIKey of CID 173092419?
The InChIKey is MEJGTSIIZWKVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.Al.Fe.Mo/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-4,6-7H,5H2;;;.
What are the key properties of CID 173092419?
CID 173092419 has a molecular weight of 310.93 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173092419 is sourced from PubChem (CID 173092419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).