CID 136846530

C8H6NOSi — CID 136846530

IUPAC—
SMILES[Si]Oc1ccn2ccccc12
InChIInChI=1S/C8H6NOSi/c11-10-8-4-6-9-5-2-1-3-7(8)9/h1-6H
InChIKeyWACIEUFIFAYCHZ-UHFFFAOYSA-N
MW160.23 g/mol
LogP1.40
Rot. Bonds1

About CID 136846530

CID 136846530 (PubChem CID 136846530) has the molecular formula C8H6NOSi and a molecular weight of 160.23 g/mol.

Molecular Properties

Compound NameCID 136846530
PubChem CID136846530
Molecular FormulaC8H6NOSi
Molecular Weight160.23 g/mol
Exact Mass160.02
IUPAC Name—
SMILES[Si]Oc1ccn2ccccc12
InChIInChI=1S/C8H6NOSi/c11-10-8-4-6-9-5-2-1-3-7(8)9/h1-6H
InChIKeyWACIEUFIFAYCHZ-UHFFFAOYSA-N
XLogP1.40
TPSA13.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 136846530?
The IUPAC name of CID 136846530 (CID 136846530) is not available.
What is the SMILES notation for CID 136846530?
The canonical SMILES for CID 136846530 is [Si]Oc1ccn2ccccc12.
What is the InChIKey of CID 136846530?
The InChIKey is WACIEUFIFAYCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6NOSi/c11-10-8-4-6-9-5-2-1-3-7(8)9/h1-6H.
What are the key properties of CID 136846530?
CID 136846530 has a molecular weight of 160.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136846530 is sourced from PubChem (CID 136846530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).