CID 173167056

C15H11Se — CID 173167056

IUPAC—
SMILES[Se]Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H11Se/c16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9H,10H2
InChIKeyUBFJITIQPYODJX-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.66
Rot. Bonds1

About CID 173167056

CID 173167056 (PubChem CID 173167056) has the molecular formula C15H11Se and a molecular weight of 270.21 g/mol.

Molecular Properties

Compound NameCID 173167056
PubChem CID173167056
Molecular FormulaC15H11Se
Molecular Weight270.21 g/mol
Exact Mass271.00
IUPAC Name—
SMILES[Se]Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H11Se/c16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9H,10H2
InChIKeyUBFJITIQPYODJX-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173167056?
The IUPAC name of CID 173167056 (CID 173167056) is not available.
What is the SMILES notation for CID 173167056?
The canonical SMILES for CID 173167056 is [Se]Cc1cccc2cc3ccccc3cc12.
What is the InChIKey of CID 173167056?
The InChIKey is UBFJITIQPYODJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Se/c16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9H,10H2.
What are the key properties of CID 173167056?
CID 173167056 has a molecular weight of 270.21 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173167056 is sourced from PubChem (CID 173167056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).