CID 6330567

C5H4NOSe — CID 6330567

IUPAC—
SMILESOc1cccnc1[Se]
InChIInChI=1S/C5H4NOSe/c7-4-2-1-3-6-5(4)8/h1-3,7H
InChIKeyRDJIZJJDNRHWMP-UHFFFAOYSA-N
MW173.05 g/mol
LogP-0.42
Rot. Bonds

About CID 6330567

CID 6330567 (PubChem CID 6330567) has the molecular formula C5H4NOSe and a molecular weight of 173.05 g/mol.

Molecular Properties

Compound NameCID 6330567
PubChem CID6330567
Molecular FormulaC5H4NOSe
Molecular Weight173.05 g/mol
Exact Mass173.95
IUPAC Name—
SMILESOc1cccnc1[Se]
InChIInChI=1S/C5H4NOSe/c7-4-2-1-3-6-5(4)8/h1-3,7H
InChIKeyRDJIZJJDNRHWMP-UHFFFAOYSA-N
XLogP-0.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.05
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
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 6330567?
The IUPAC name of CID 6330567 (CID 6330567) is not available.
What is the SMILES notation for CID 6330567?
The canonical SMILES for CID 6330567 is Oc1cccnc1[Se].
What is the InChIKey of CID 6330567?
The InChIKey is RDJIZJJDNRHWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4NOSe/c7-4-2-1-3-6-5(4)8/h1-3,7H.
What are the key properties of CID 6330567?
CID 6330567 has a molecular weight of 173.05 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6330567 is sourced from PubChem (CID 6330567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).