CID 90457872

C15H18NOSSi — CID 90457872

IUPAC—
SMILESCc1cccc(/N=C/Cc2cccs2)c1O[Si](C)C
InChIInChI=1S/C15H18NOSSi/c1-12-6-4-8-14(15(12)17-19(2)3)16-10-9-13-7-5-11-18-13/h4-8,10-11H,9H2,1-3H3/b16-10+
InChIKeyXOKORFRGYUFTOU-MHWRWJLKSA-N
MW288.47 g/mol
LogP4.63
Rot. Bonds5

About CID 90457872

CID 90457872 (PubChem CID 90457872) has the molecular formula C15H18NOSSi and a molecular weight of 288.47 g/mol.

Molecular Properties

Compound NameCID 90457872
PubChem CID90457872
Molecular FormulaC15H18NOSSi
Molecular Weight288.47 g/mol
Exact Mass288.09
IUPAC Name—
SMILESCc1cccc(/N=C/Cc2cccs2)c1O[Si](C)C
InChIInChI=1S/C15H18NOSSi/c1-12-6-4-8-14(15(12)17-19(2)3)16-10-9-13-7-5-11-18-13/h4-8,10-11H,9H2,1-3H3/b16-10+
InChIKeyXOKORFRGYUFTOU-MHWRWJLKSA-N
XLogP4.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 90457872?
The IUPAC name of CID 90457872 (CID 90457872) is not available.
What is the SMILES notation for CID 90457872?
The canonical SMILES for CID 90457872 is Cc1cccc(/N=C/Cc2cccs2)c1O[Si](C)C.
What is the InChIKey of CID 90457872?
The InChIKey is XOKORFRGYUFTOU-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H18NOSSi/c1-12-6-4-8-14(15(12)17-19(2)3)16-10-9-13-7-5-11-18-13/h4-8,10-11H,9H2,1-3H3/b16-10+.
What are the key properties of CID 90457872?
CID 90457872 has a molecular weight of 288.47 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90457872 is sourced from PubChem (CID 90457872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).