CID 67469645

C9H8NO2Si — CID 67469645

IUPAC—
SMILESCOC1=NOc2ccccc2C1[Si]
InChIInChI=1S/C9H8NO2Si/c1-11-9-8(13)6-4-2-3-5-7(6)12-10-9/h2-5,8H,1H3
InChIKeyBRADIIUHSIYVOG-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.25
Rot. Bonds

About CID 67469645

CID 67469645 (PubChem CID 67469645) has the molecular formula C9H8NO2Si and a molecular weight of 190.25 g/mol.

Molecular Properties

Compound NameCID 67469645
PubChem CID67469645
Molecular FormulaC9H8NO2Si
Molecular Weight190.25 g/mol
Exact Mass190.03
IUPAC Name—
SMILESCOC1=NOc2ccccc2C1[Si]
InChIInChI=1S/C9H8NO2Si/c1-11-9-8(13)6-4-2-3-5-7(6)12-10-9/h2-5,8H,1H3
InChIKeyBRADIIUHSIYVOG-UHFFFAOYSA-N
XLogP1.25
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.25
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 67469645?
The IUPAC name of CID 67469645 (CID 67469645) is not available.
What is the SMILES notation for CID 67469645?
The canonical SMILES for CID 67469645 is COC1=NOc2ccccc2C1[Si].
What is the InChIKey of CID 67469645?
The InChIKey is BRADIIUHSIYVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NO2Si/c1-11-9-8(13)6-4-2-3-5-7(6)12-10-9/h2-5,8H,1H3.
What are the key properties of CID 67469645?
CID 67469645 has a molecular weight of 190.25 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67469645 is sourced from PubChem (CID 67469645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).