CID 88627468

C5H8Cl2N2OSe — CID 88627468

IUPAC—
SMILESCc1nccn1C.ClOCl.[Se]
InChIInChI=1S/C5H8N2.Cl2O.Se/c1-5-6-3-4-7(5)2;1-3-2;/h3-4H,1-2H3;;
InChIKeyKOCZWPBQDMKMRP-UHFFFAOYSA-N
MW262.00 g/mol
LogP1.66
Rot. Bonds

About CID 88627468

CID 88627468 (PubChem CID 88627468) has the molecular formula C5H8Cl2N2OSe and a molecular weight of 262.00 g/mol.

Molecular Properties

Compound NameCID 88627468
PubChem CID88627468
Molecular FormulaC5H8Cl2N2OSe
Molecular Weight262.00 g/mol
Exact Mass261.92
IUPAC Name—
SMILESCc1nccn1C.ClOCl.[Se]
InChIInChI=1S/C5H8N2.Cl2O.Se/c1-5-6-3-4-7(5)2;1-3-2;/h3-4H,1-2H3;;
InChIKeyKOCZWPBQDMKMRP-UHFFFAOYSA-N
XLogP1.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.00
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 88627468?
The IUPAC name of CID 88627468 (CID 88627468) is not available.
What is the SMILES notation for CID 88627468?
The canonical SMILES for CID 88627468 is Cc1nccn1C.ClOCl.[Se].
What is the InChIKey of CID 88627468?
The InChIKey is KOCZWPBQDMKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.Cl2O.Se/c1-5-6-3-4-7(5)2;1-3-2;/h3-4H,1-2H3;;.
What are the key properties of CID 88627468?
CID 88627468 has a molecular weight of 262.00 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88627468 is sourced from PubChem (CID 88627468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).