CID 90457533

C14H16NOSSi — CID 90457533

IUPAC—
SMILESCc1ccc(O[Si](C)C)c(/N=C/c2cccs2)c1
InChIInChI=1S/C14H16NOSSi/c1-11-6-7-14(16-18(2)3)13(9-11)15-10-12-5-4-8-17-12/h4-10H,1-3H3/b15-10+
InChIKeyROZGZTTVBPMKDH-XNTDXEJSSA-N
MW274.44 g/mol
LogP4.44
Rot. Bonds4

About CID 90457533

CID 90457533 (PubChem CID 90457533) has the molecular formula C14H16NOSSi and a molecular weight of 274.44 g/mol.

Molecular Properties

Compound NameCID 90457533
PubChem CID90457533
Molecular FormulaC14H16NOSSi
Molecular Weight274.44 g/mol
Exact Mass274.07
IUPAC Name—
SMILESCc1ccc(O[Si](C)C)c(/N=C/c2cccs2)c1
InChIInChI=1S/C14H16NOSSi/c1-11-6-7-14(16-18(2)3)13(9-11)15-10-12-5-4-8-17-12/h4-10H,1-3H3/b15-10+
InChIKeyROZGZTTVBPMKDH-XNTDXEJSSA-N
XLogP4.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 54.44
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 90457533?
The IUPAC name of CID 90457533 (CID 90457533) is not available.
What is the SMILES notation for CID 90457533?
The canonical SMILES for CID 90457533 is Cc1ccc(O[Si](C)C)c(/N=C/c2cccs2)c1.
What is the InChIKey of CID 90457533?
The InChIKey is ROZGZTTVBPMKDH-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H16NOSSi/c1-11-6-7-14(16-18(2)3)13(9-11)15-10-12-5-4-8-17-12/h4-10H,1-3H3/b15-10+.
What are the key properties of CID 90457533?
CID 90457533 has a molecular weight of 274.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90457533 is sourced from PubChem (CID 90457533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).