CID 6914078

C10H11Se — CID 6914078

IUPAC—
SMILESCCC1=C([Se])/C=C\C=C/C=C\1
InChIInChI=1S/C10H11Se/c1-2-9-7-5-3-4-6-8-10(9)11/h3-8H,2H2,1H3/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7-,10-8+,10-9+
InChIKeyAJYNQRXQXVAMIY-AXMJBYMSSA-N
MW210.16 g/mol
LogP2.50
Rot. Bonds1

About CID 6914078

CID 6914078 (PubChem CID 6914078) has the molecular formula C10H11Se and a molecular weight of 210.16 g/mol.

Molecular Properties

Compound NameCID 6914078
PubChem CID6914078
Molecular FormulaC10H11Se
Molecular Weight210.16 g/mol
Exact Mass211.00
IUPAC Name—
SMILESCCC1=C([Se])/C=C\C=C/C=C\1
InChIInChI=1S/C10H11Se/c1-2-9-7-5-3-4-6-8-10(9)11/h3-8H,2H2,1H3/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7-,10-8+,10-9+
InChIKeyAJYNQRXQXVAMIY-AXMJBYMSSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 161173679
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Frequently Asked Questions

What is the IUPAC name of CID 6914078?
The IUPAC name of CID 6914078 (CID 6914078) is not available.
What is the SMILES notation for CID 6914078?
The canonical SMILES for CID 6914078 is CCC1=C([Se])/C=C\C=C/C=C\1.
What is the InChIKey of CID 6914078?
The InChIKey is AJYNQRXQXVAMIY-AXMJBYMSSA-N. The full InChI is InChI=1S/C10H11Se/c1-2-9-7-5-3-4-6-8-10(9)11/h3-8H,2H2,1H3/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7-,10-8+,10-9+.
What are the key properties of CID 6914078?
CID 6914078 has a molecular weight of 210.16 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6914078 is sourced from PubChem (CID 6914078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).