CID 119078264

C16H11Se — CID 119078264

IUPAC—
SMILES[Se]C12C=CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C16H11Se/c17-16-10-9-11(12-5-1-3-7-14(12)16)13-6-2-4-8-15(13)16/h1-11H
InChIKeyHLXRANQDYVZFOA-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.11
Rot. Bonds

About CID 119078264

CID 119078264 (PubChem CID 119078264) has the molecular formula C16H11Se and a molecular weight of 282.22 g/mol.

Molecular Properties

Compound NameCID 119078264
PubChem CID119078264
Molecular FormulaC16H11Se
Molecular Weight282.22 g/mol
Exact Mass283.00
IUPAC Name—
SMILES[Se]C12C=CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C16H11Se/c17-16-10-9-11(12-5-1-3-7-14(12)16)13-6-2-4-8-15(13)16/h1-11H
InChIKeyHLXRANQDYVZFOA-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 119078264?
The IUPAC name of CID 119078264 (CID 119078264) is not available.
What is the SMILES notation for CID 119078264?
The canonical SMILES for CID 119078264 is [Se]C12C=CC(c3ccccc31)c1ccccc12.
What is the InChIKey of CID 119078264?
The InChIKey is HLXRANQDYVZFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Se/c17-16-10-9-11(12-5-1-3-7-14(12)16)13-6-2-4-8-15(13)16/h1-11H.
What are the key properties of CID 119078264?
CID 119078264 has a molecular weight of 282.22 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119078264 is sourced from PubChem (CID 119078264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).