CID 156771934

C11H9Se — CID 156771934

IUPAC—
SMILESCc1ccc([Se])c2ccccc12
InChIInChI=1S/C11H9Se/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3
InChIKeyWLNSGPIKTOUZDN-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.94
Rot. Bonds

About CID 156771934

CID 156771934 (PubChem CID 156771934) has the molecular formula C11H9Se and a molecular weight of 220.15 g/mol.

Molecular Properties

Compound NameCID 156771934
PubChem CID156771934
Molecular FormulaC11H9Se
Molecular Weight220.15 g/mol
Exact Mass220.99
IUPAC Name—
SMILESCc1ccc([Se])c2ccccc12
InChIInChI=1S/C11H9Se/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3
InChIKeyWLNSGPIKTOUZDN-UHFFFAOYSA-N
XLogP1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.94
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 156771934?
The IUPAC name of CID 156771934 (CID 156771934) is not available.
What is the SMILES notation for CID 156771934?
The canonical SMILES for CID 156771934 is Cc1ccc([Se])c2ccccc12.
What is the InChIKey of CID 156771934?
The InChIKey is WLNSGPIKTOUZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Se/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3.
What are the key properties of CID 156771934?
CID 156771934 has a molecular weight of 220.15 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156771934 is sourced from PubChem (CID 156771934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).