CID 153445903

C5H3NO2Si — CID 153445903

IUPAC
SMILESc1cc2c(cn1)O[Si]O2
InChIInChI=1S/C5H3NO2Si/c1-2-6-3-5-4(1)7-9-8-5/h1-3H
InChIKeyGPIDOIFDIPIEKB-UHFFFAOYSA-N
MW137.17 g/mol
LogP0.39
Rot. Bonds

About CID 153445903

CID 153445903 (PubChem CID 153445903) has the molecular formula C5H3NO2Si and a molecular weight of 137.17 g/mol.

Molecular Properties

Compound NameCID 153445903
PubChem CID153445903
Molecular FormulaC5H3NO2Si
Molecular Weight137.17 g/mol
Exact Mass136.99
IUPAC Name
SMILESc1cc2c(cn1)O[Si]O2
InChIInChI=1S/C5H3NO2Si/c1-2-6-3-5-4(1)7-9-8-5/h1-3H
InChIKeyGPIDOIFDIPIEKB-UHFFFAOYSA-N
XLogP0.39
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.17
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 153445903?
The IUPAC name of CID 153445903 (CID 153445903) is not available.
What is the SMILES notation for CID 153445903?
The canonical SMILES for CID 153445903 is c1cc2c(cn1)O[Si]O2.
What is the InChIKey of CID 153445903?
The InChIKey is GPIDOIFDIPIEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO2Si/c1-2-6-3-5-4(1)7-9-8-5/h1-3H.
What are the key properties of CID 153445903?
CID 153445903 has a molecular weight of 137.17 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153445903 is sourced from PubChem (CID 153445903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).