CID 174712035

C9H8MnNiOSi — CID 174712035

IUPAC—
SMILESC1=Cc2ccccc2OC1.[Mn].[Ni].[Si]
InChIInChI=1S/C9H8O.Mn.Ni.Si/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-6H,7H2;;;
InChIKeyZPYKWNRZOHSQEE-UHFFFAOYSA-N
MW273.88 g/mol
LogP1.71
Rot. Bonds

About CID 174712035

CID 174712035 (PubChem CID 174712035) has the molecular formula C9H8MnNiOSi and a molecular weight of 273.88 g/mol.

Molecular Properties

Compound NameCID 174712035
PubChem CID174712035
Molecular FormulaC9H8MnNiOSi
Molecular Weight273.88 g/mol
Exact Mass272.91
IUPAC Name—
SMILESC1=Cc2ccccc2OC1.[Mn].[Ni].[Si]
InChIInChI=1S/C9H8O.Mn.Ni.Si/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-6H,7H2;;;
InChIKeyZPYKWNRZOHSQEE-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 ≤ 500273.88
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 174712035 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-chromene;nickel;phosphane
CID 175556104
2H-chromene;manganese;titanium
CID 174506783
CID 87399656
CID 87399656
CID 174654429
CID 174654429
CID 173043361
CID 173043361
2H-chromene;manganese;methane;molybdenum
CID 175353491
2H-chromene;gold
CID 87399777
CID 173205366
CID 173205366
2H-chromene;copper;zirconium
CID 174745994
2H-chromene;methane;molybdenum;vanadium
CID 173308227
2H-chromene;ethane
CID 68570874
2H-chromene;iron;methane
CID 87751507

Frequently Asked Questions

What is the IUPAC name of CID 174712035?
The IUPAC name of CID 174712035 (CID 174712035) is not available.
What is the SMILES notation for CID 174712035?
The canonical SMILES for CID 174712035 is C1=Cc2ccccc2OC1.[Mn].[Ni].[Si].
What is the InChIKey of CID 174712035?
The InChIKey is ZPYKWNRZOHSQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.Mn.Ni.Si/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-6H,7H2;;;.
What are the key properties of CID 174712035?
CID 174712035 has a molecular weight of 273.88 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 174712035 is sourced from PubChem (CID 174712035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).