CID 166479536

C17H16NO2Si — CID 166479536

IUPAC—
SMILESC[Si](Cc1c[nH]c2c(-c3ccccc3)cccc12)C(=O)O
InChIInChI=1S/C17H16NO2Si/c1-21(17(19)20)11-13-10-18-16-14(8-5-9-15(13)16)12-6-3-2-4-7-12/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyZPBRCJKQLCTGRE-UHFFFAOYSA-N
MW294.41 g/mol
LogP4.30
Rot. Bonds4

About CID 166479536

CID 166479536 (PubChem CID 166479536) has the molecular formula C17H16NO2Si and a molecular weight of 294.41 g/mol.

Molecular Properties

Compound NameCID 166479536
PubChem CID166479536
Molecular FormulaC17H16NO2Si
Molecular Weight294.41 g/mol
Exact Mass294.10
IUPAC Name—
SMILESC[Si](Cc1c[nH]c2c(-c3ccccc3)cccc12)C(=O)O
InChIInChI=1S/C17H16NO2Si/c1-21(17(19)20)11-13-10-18-16-14(8-5-9-15(13)16)12-6-3-2-4-7-12/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyZPBRCJKQLCTGRE-UHFFFAOYSA-N
XLogP4.30
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 166479536?
The IUPAC name of CID 166479536 (CID 166479536) is not available.
What is the SMILES notation for CID 166479536?
The canonical SMILES for CID 166479536 is C[Si](Cc1c[nH]c2c(-c3ccccc3)cccc12)C(=O)O.
What is the InChIKey of CID 166479536?
The InChIKey is ZPBRCJKQLCTGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16NO2Si/c1-21(17(19)20)11-13-10-18-16-14(8-5-9-15(13)16)12-6-3-2-4-7-12/h2-10,18H,11H2,1H3,(H,19,20).
What are the key properties of CID 166479536?
CID 166479536 has a molecular weight of 294.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166479536 is sourced from PubChem (CID 166479536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).