CID 140937992

C11H7NO2SSi — CID 140937992

IUPAC—
SMILESO=S1(=O)c2ccccc2[Si]c2ncccc21
InChIInChI=1S/C11H7NO2SSi/c13-15(14)8-4-1-2-6-10(8)16-11-9(15)5-3-7-12-11/h1-7H
InChIKeyABQXELGNPNIEKW-UHFFFAOYSA-N
MW245.34 g/mol
LogP-0.12
Rot. Bonds

About CID 140937992

CID 140937992 (PubChem CID 140937992) has the molecular formula C11H7NO2SSi and a molecular weight of 245.34 g/mol.

Molecular Properties

Compound NameCID 140937992
PubChem CID140937992
Molecular FormulaC11H7NO2SSi
Molecular Weight245.34 g/mol
Exact Mass245.00
IUPAC Name—
SMILESO=S1(=O)c2ccccc2[Si]c2ncccc21
InChIInChI=1S/C11H7NO2SSi/c13-15(14)8-4-1-2-6-10(8)16-11-9(15)5-3-7-12-11/h1-7H
InChIKeyABQXELGNPNIEKW-UHFFFAOYSA-N
XLogP-0.12
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 5-0.12
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 140937992?
The IUPAC name of CID 140937992 (CID 140937992) is not available.
What is the SMILES notation for CID 140937992?
The canonical SMILES for CID 140937992 is O=S1(=O)c2ccccc2[Si]c2ncccc21.
What is the InChIKey of CID 140937992?
The InChIKey is ABQXELGNPNIEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2SSi/c13-15(14)8-4-1-2-6-10(8)16-11-9(15)5-3-7-12-11/h1-7H.
What are the key properties of CID 140937992?
CID 140937992 has a molecular weight of 245.34 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140937992 is sourced from PubChem (CID 140937992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).