CID 90466536

C8H4ClN2NaSe — CID 90466536

IUPAC—
SMILESClc1ccc2ncnc([Se])c2c1.[Na]
InChIInChI=1S/C8H4ClN2Se.Na/c9-5-1-2-7-6(3-5)8(12)11-4-10-7;/h1-4H;
InChIKeyTVQFMEDHKVOKOA-UHFFFAOYSA-N
MW265.54 g/mol
LogP0.70
Rot. Bonds

About CID 90466536

CID 90466536 (PubChem CID 90466536) has the molecular formula C8H4ClN2NaSe and a molecular weight of 265.54 g/mol.

Molecular Properties

Compound NameCID 90466536
PubChem CID90466536
Molecular FormulaC8H4ClN2NaSe
Molecular Weight265.54 g/mol
Exact Mass265.91
IUPAC Name—
SMILESClc1ccc2ncnc([Se])c2c1.[Na]
InChIInChI=1S/C8H4ClN2Se.Na/c9-5-1-2-7-6(3-5)8(12)11-4-10-7;/h1-4H;
InChIKeyTVQFMEDHKVOKOA-UHFFFAOYSA-N
XLogP0.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.54
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 90466536?
The IUPAC name of CID 90466536 (CID 90466536) is not available.
What is the SMILES notation for CID 90466536?
The canonical SMILES for CID 90466536 is Clc1ccc2ncnc([Se])c2c1.[Na].
What is the InChIKey of CID 90466536?
The InChIKey is TVQFMEDHKVOKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN2Se.Na/c9-5-1-2-7-6(3-5)8(12)11-4-10-7;/h1-4H;.
What are the key properties of CID 90466536?
CID 90466536 has a molecular weight of 265.54 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90466536 is sourced from PubChem (CID 90466536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).