CID 140696134

C13H12AlNOSi — CID 140696134

IUPAC—
SMILESC[Si]1(C)c2cccnc2-c2c(O[Al])cccc21
InChIInChI=1S/C13H13NOSi.Al/c1-16(2)10-6-3-5-9(15)12(10)13-11(16)7-4-8-14-13;/h3-8,15H,1-2H3;/q;+1/p-1
InChIKeyZQXUMBRLYOJRKM-UHFFFAOYSA-M
MW253.31 g/mol
LogP1.35
Rot. Bonds1

About CID 140696134

CID 140696134 (PubChem CID 140696134) has the molecular formula C13H12AlNOSi and a molecular weight of 253.31 g/mol.

Molecular Properties

Compound NameCID 140696134
PubChem CID140696134
Molecular FormulaC13H12AlNOSi
Molecular Weight253.31 g/mol
Exact Mass253.05
IUPAC Name—
SMILESC[Si]1(C)c2cccnc2-c2c(O[Al])cccc21
InChIInChI=1S/C13H13NOSi.Al/c1-16(2)10-6-3-5-9(15)12(10)13-11(16)7-4-8-14-13;/h3-8,15H,1-2H3;/q;+1/p-1
InChIKeyZQXUMBRLYOJRKM-UHFFFAOYSA-M
XLogP1.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 140696134?
The IUPAC name of CID 140696134 (CID 140696134) is not available.
What is the SMILES notation for CID 140696134?
The canonical SMILES for CID 140696134 is C[Si]1(C)c2cccnc2-c2c(O[Al])cccc21.
What is the InChIKey of CID 140696134?
The InChIKey is ZQXUMBRLYOJRKM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H13NOSi.Al/c1-16(2)10-6-3-5-9(15)12(10)13-11(16)7-4-8-14-13;/h3-8,15H,1-2H3;/q;+1/p-1.
What are the key properties of CID 140696134?
CID 140696134 has a molecular weight of 253.31 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140696134 is sourced from PubChem (CID 140696134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).