CID 174654429

C9H8CoMoOSi — CID 174654429

IUPAC—
SMILESC1=Cc2ccccc2OC1.[Co].[Mo].[Si]
InChIInChI=1S/C9H8O.Co.Mo.Si/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-6H,7H2;;;
InChIKeyNRACATUGFIFQJM-UHFFFAOYSA-N
MW315.12 g/mol
LogP1.71
Rot. Bonds

About CID 174654429

CID 174654429 (PubChem CID 174654429) has the molecular formula C9H8CoMoOSi and a molecular weight of 315.12 g/mol.

Molecular Properties

Compound NameCID 174654429
PubChem CID174654429
Molecular FormulaC9H8CoMoOSi
Molecular Weight315.12 g/mol
Exact Mass316.87
IUPAC Name—
SMILESC1=Cc2ccccc2OC1.[Co].[Mo].[Si]
InChIInChI=1S/C9H8O.Co.Mo.Si/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-6H,7H2;;;
InChIKeyNRACATUGFIFQJM-UHFFFAOYSA-N
XLogP1.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 51.71
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 174654429?
The IUPAC name of CID 174654429 (CID 174654429) is not available.
What is the SMILES notation for CID 174654429?
The canonical SMILES for CID 174654429 is C1=Cc2ccccc2OC1.[Co].[Mo].[Si].
What is the InChIKey of CID 174654429?
The InChIKey is NRACATUGFIFQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.Co.Mo.Si/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-6H,7H2;;;.
What are the key properties of CID 174654429?
CID 174654429 has a molecular weight of 315.12 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174654429 is sourced from PubChem (CID 174654429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).