CID 155775562

C14H18BrCl2N3OSi — CID 155775562

IUPAC—
SMILESCC(C)(C)C[Si]CCOCn1cc(Br)c2c(Cl)nc(Cl)nc21
InChIInChI=1S/C14H18BrCl2N3OSi/c1-14(2,3)7-22-5-4-21-8-20-6-9(15)10-11(16)18-13(17)19-12(10)20/h6H,4-5,7-8H2,1-3H3
InChIKeyKCLQBCLINLSAQT-UHFFFAOYSA-N
MW423.21 g/mol
LogP5.06
Rot. Bonds6

About CID 155775562

CID 155775562 (PubChem CID 155775562) has the molecular formula C14H18BrCl2N3OSi and a molecular weight of 423.21 g/mol.

Molecular Properties

Compound NameCID 155775562
PubChem CID155775562
Molecular FormulaC14H18BrCl2N3OSi
Molecular Weight423.21 g/mol
Exact Mass420.98
IUPAC Name—
SMILESCC(C)(C)C[Si]CCOCn1cc(Br)c2c(Cl)nc(Cl)nc21
InChIInChI=1S/C14H18BrCl2N3OSi/c1-14(2,3)7-22-5-4-21-8-20-6-9(15)10-11(16)18-13(17)19-12(10)20/h6H,4-5,7-8H2,1-3H3
InChIKeyKCLQBCLINLSAQT-UHFFFAOYSA-N
XLogP5.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.21
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155775562?
The IUPAC name of CID 155775562 (CID 155775562) is not available.
What is the SMILES notation for CID 155775562?
The canonical SMILES for CID 155775562 is CC(C)(C)C[Si]CCOCn1cc(Br)c2c(Cl)nc(Cl)nc21.
What is the InChIKey of CID 155775562?
The InChIKey is KCLQBCLINLSAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl2N3OSi/c1-14(2,3)7-22-5-4-21-8-20-6-9(15)10-11(16)18-13(17)19-12(10)20/h6H,4-5,7-8H2,1-3H3.
What are the key properties of CID 155775562?
CID 155775562 has a molecular weight of 423.21 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155775562 is sourced from PubChem (CID 155775562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).