CID 175409039

C7H5NO3Si — CID 175409039

IUPAC—
SMILESO=Cc1cccc([N+](=O)[O-])c1.[Si]
InChIInChI=1S/C7H5NO3.Si/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-5H;
InChIKeyDZALEVRIFQFTSA-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.03
Rot. Bonds2

About CID 175409039

CID 175409039 (PubChem CID 175409039) has the molecular formula C7H5NO3Si and a molecular weight of 179.21 g/mol.

Molecular Properties

Compound NameCID 175409039
PubChem CID175409039
Molecular FormulaC7H5NO3Si
Molecular Weight179.21 g/mol
Exact Mass179.00
IUPAC Name—
SMILESO=Cc1cccc([N+](=O)[O-])c1.[Si]
InChIInChI=1S/C7H5NO3.Si/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-5H;
InChIKeyDZALEVRIFQFTSA-UHFFFAOYSA-N
XLogP1.03
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175409039?
The IUPAC name of CID 175409039 (CID 175409039) is not available.
What is the SMILES notation for CID 175409039?
The canonical SMILES for CID 175409039 is O=Cc1cccc([N+](=O)[O-])c1.[Si].
What is the InChIKey of CID 175409039?
The InChIKey is DZALEVRIFQFTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3.Si/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-5H;.
What are the key properties of CID 175409039?
CID 175409039 has a molecular weight of 179.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175409039 is sourced from PubChem (CID 175409039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).