CID 88608789

C3H5N3O9Si — CID 88608789

IUPAC—
SMILESO=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-].[Si]
InChIInChI=1S/C3H5N3O9.Si/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10;/h3H,1-2H2;
InChIKeyXBDBXPZBMQRWCS-UHFFFAOYSA-N
MW255.17 g/mol
LogP-1.40
Rot. Bonds8

About CID 88608789

CID 88608789 (PubChem CID 88608789) has the molecular formula C3H5N3O9Si and a molecular weight of 255.17 g/mol.

Molecular Properties

Compound NameCID 88608789
PubChem CID88608789
Molecular FormulaC3H5N3O9Si
Molecular Weight255.17 g/mol
Exact Mass254.98
IUPAC Name—
SMILESO=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-].[Si]
InChIInChI=1S/C3H5N3O9.Si/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10;/h3H,1-2H2;
InChIKeyXBDBXPZBMQRWCS-UHFFFAOYSA-N
XLogP-1.40
TPSA157.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.17
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze CID 88608789 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 88608789?
The IUPAC name of CID 88608789 (CID 88608789) is not available.
What is the SMILES notation for CID 88608789?
The canonical SMILES for CID 88608789 is O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-].[Si].
What is the InChIKey of CID 88608789?
The InChIKey is XBDBXPZBMQRWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O9.Si/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10;/h3H,1-2H2;.
What are the key properties of CID 88608789?
CID 88608789 has a molecular weight of 255.17 g/mol, XLogP of -1.40, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88608789 is sourced from PubChem (CID 88608789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).