CID 155577054

C8H7ClNOSi — CID 155577054

IUPAC—
SMILESO=[Si]/N=C/Cc1ccc(Cl)cc1
InChIInChI=1S/C8H7ClNOSi/c9-8-3-1-7(2-4-8)5-6-10-12-11/h1-4,6H,5H2/b10-6+
InChIKeyYJKAMIWGAKOAPC-UXBLZVDNSA-N
MW196.69 g/mol
LogP1.92
Rot. Bonds3

About CID 155577054

CID 155577054 (PubChem CID 155577054) has the molecular formula C8H7ClNOSi and a molecular weight of 196.69 g/mol.

Molecular Properties

Compound NameCID 155577054
PubChem CID155577054
Molecular FormulaC8H7ClNOSi
Molecular Weight196.69 g/mol
Exact Mass196.00
IUPAC Name—
SMILESO=[Si]/N=C/Cc1ccc(Cl)cc1
InChIInChI=1S/C8H7ClNOSi/c9-8-3-1-7(2-4-8)5-6-10-12-11/h1-4,6H,5H2/b10-6+
InChIKeyYJKAMIWGAKOAPC-UXBLZVDNSA-N
XLogP1.92
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.69
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 155577054?
The IUPAC name of CID 155577054 (CID 155577054) is not available.
What is the SMILES notation for CID 155577054?
The canonical SMILES for CID 155577054 is O=[Si]/N=C/Cc1ccc(Cl)cc1.
What is the InChIKey of CID 155577054?
The InChIKey is YJKAMIWGAKOAPC-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H7ClNOSi/c9-8-3-1-7(2-4-8)5-6-10-12-11/h1-4,6H,5H2/b10-6+.
What are the key properties of CID 155577054?
CID 155577054 has a molecular weight of 196.69 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155577054 is sourced from PubChem (CID 155577054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).