CID 119078265

C16H13Se — CID 119078265

IUPAC—
SMILES[Se]C12CCC(c3ccccc31)c1ccccc12
InChIInChI=1S/C16H13Se/c17-16-10-9-11(12-5-1-3-7-14(12)16)13-6-2-4-8-15(13)16/h1-8,11H,9-10H2
InChIKeyKQNPORDQAQLBLP-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.34
Rot. Bonds

About CID 119078265

CID 119078265 (PubChem CID 119078265) has the molecular formula C16H13Se and a molecular weight of 284.24 g/mol.

Molecular Properties

Compound NameCID 119078265
PubChem CID119078265
Molecular FormulaC16H13Se
Molecular Weight284.24 g/mol
Exact Mass285.02
IUPAC Name—
SMILES[Se]C12CCC(c3ccccc31)c1ccccc12
InChIInChI=1S/C16H13Se/c17-16-10-9-11(12-5-1-3-7-14(12)16)13-6-2-4-8-15(13)16/h1-8,11H,9-10H2
InChIKeyKQNPORDQAQLBLP-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 119078265?
The IUPAC name of CID 119078265 (CID 119078265) is not available.
What is the SMILES notation for CID 119078265?
The canonical SMILES for CID 119078265 is [Se]C12CCC(c3ccccc31)c1ccccc12.
What is the InChIKey of CID 119078265?
The InChIKey is KQNPORDQAQLBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Se/c17-16-10-9-11(12-5-1-3-7-14(12)16)13-6-2-4-8-15(13)16/h1-8,11H,9-10H2.
What are the key properties of CID 119078265?
CID 119078265 has a molecular weight of 284.24 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119078265 is sourced from PubChem (CID 119078265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).