CID 90466538

C8H3Cl2N2NaSe — CID 90466538

IUPAC—
SMILESClc1cc(Cl)c2ncnc([Se])c2c1.[Na]
InChIInChI=1S/C8H3Cl2N2Se.Na/c9-4-1-5-7(6(10)2-4)11-3-12-8(5)13;/h1-3H;
InChIKeyWLAIFIKMLFODAS-UHFFFAOYSA-N
MW299.98 g/mol
LogP1.35
Rot. Bonds

About CID 90466538

CID 90466538 (PubChem CID 90466538) has the molecular formula C8H3Cl2N2NaSe and a molecular weight of 299.98 g/mol.

Molecular Properties

Compound NameCID 90466538
PubChem CID90466538
Molecular FormulaC8H3Cl2N2NaSe
Molecular Weight299.98 g/mol
Exact Mass299.87
IUPAC Name—
SMILESClc1cc(Cl)c2ncnc([Se])c2c1.[Na]
InChIInChI=1S/C8H3Cl2N2Se.Na/c9-4-1-5-7(6(10)2-4)11-3-12-8(5)13;/h1-3H;
InChIKeyWLAIFIKMLFODAS-UHFFFAOYSA-N
XLogP1.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.98
LogP ≤ 51.35
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 90466538?
The IUPAC name of CID 90466538 (CID 90466538) is not available.
What is the SMILES notation for CID 90466538?
The canonical SMILES for CID 90466538 is Clc1cc(Cl)c2ncnc([Se])c2c1.[Na].
What is the InChIKey of CID 90466538?
The InChIKey is WLAIFIKMLFODAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2N2Se.Na/c9-4-1-5-7(6(10)2-4)11-3-12-8(5)13;/h1-3H;.
What are the key properties of CID 90466538?
CID 90466538 has a molecular weight of 299.98 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90466538 is sourced from PubChem (CID 90466538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).