CID 67893681

C3H3N3O4Si2 — CID 67893681

IUPAC—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Si]O[Si]
InChIInChI=1S/C3H3N3O3.OSi2/c7-1-4-2(8)6-3(9)5-1;2-1-3/h(H3,4,5,6,7,8,9);
InChIKeyXFCWRRDBAOXSPC-UHFFFAOYSA-N
MW201.25 g/mol
LogP-3.08
Rot. Bonds

About CID 67893681

CID 67893681 (PubChem CID 67893681) has the molecular formula C3H3N3O4Si2 and a molecular weight of 201.25 g/mol.

Molecular Properties

Compound NameCID 67893681
PubChem CID67893681
Molecular FormulaC3H3N3O4Si2
Molecular Weight201.25 g/mol
Exact Mass200.97
IUPAC Name—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Si]O[Si]
InChIInChI=1S/C3H3N3O3.OSi2/c7-1-4-2(8)6-3(9)5-1;2-1-3/h(H3,4,5,6,7,8,9);
InChIKeyXFCWRRDBAOXSPC-UHFFFAOYSA-N
XLogP-3.08
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-3.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 67893681?
The IUPAC name of CID 67893681 (CID 67893681) is not available.
What is the SMILES notation for CID 67893681?
The canonical SMILES for CID 67893681 is O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Si]O[Si].
What is the InChIKey of CID 67893681?
The InChIKey is XFCWRRDBAOXSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.OSi2/c7-1-4-2(8)6-3(9)5-1;2-1-3/h(H3,4,5,6,7,8,9);.
What are the key properties of CID 67893681?
CID 67893681 has a molecular weight of 201.25 g/mol, XLogP of -3.08, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67893681 is sourced from PubChem (CID 67893681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).