CID 174652419

C8H6NO4Si — CID 174652419

IUPAC—
SMILESO=CC([Si])Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H6NO4Si/c10-5-8(14)13-7-3-1-2-6(4-7)9(11)12/h1-5,8H
InChIKeyROGDLJKENKUNJT-UHFFFAOYSA-N
MW208.23 g/mol
LogP0.67
Rot. Bonds4

About CID 174652419

CID 174652419 (PubChem CID 174652419) has the molecular formula C8H6NO4Si and a molecular weight of 208.23 g/mol.

Molecular Properties

Compound NameCID 174652419
PubChem CID174652419
Molecular FormulaC8H6NO4Si
Molecular Weight208.23 g/mol
Exact Mass208.01
IUPAC Name—
SMILESO=CC([Si])Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H6NO4Si/c10-5-8(14)13-7-3-1-2-6(4-7)9(11)12/h1-5,8H
InChIKeyROGDLJKENKUNJT-UHFFFAOYSA-N
XLogP0.67
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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CID 91622405
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Frequently Asked Questions

What is the IUPAC name of CID 174652419?
The IUPAC name of CID 174652419 (CID 174652419) is not available.
What is the SMILES notation for CID 174652419?
The canonical SMILES for CID 174652419 is O=CC([Si])Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of CID 174652419?
The InChIKey is ROGDLJKENKUNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6NO4Si/c10-5-8(14)13-7-3-1-2-6(4-7)9(11)12/h1-5,8H.
What are the key properties of CID 174652419?
CID 174652419 has a molecular weight of 208.23 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174652419 is sourced from PubChem (CID 174652419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).