CID 161250572

C7H5NOSe — CID 161250572

IUPAC—
SMILES[Se].c1ccc2ocnc2c1
InChIInChI=1S/C7H5NO.Se/c1-2-4-7-6(3-1)8-5-9-7;/h1-5H;
InChIKeyVBFGECPUTJIXCS-UHFFFAOYSA-N
MW198.08 g/mol
LogP1.45
Rot. Bonds

About CID 161250572

CID 161250572 (PubChem CID 161250572) has the molecular formula C7H5NOSe and a molecular weight of 198.08 g/mol.

Molecular Properties

Compound NameCID 161250572
PubChem CID161250572
Molecular FormulaC7H5NOSe
Molecular Weight198.08 g/mol
Exact Mass198.95
IUPAC Name—
SMILES[Se].c1ccc2ocnc2c1
InChIInChI=1S/C7H5NO.Se/c1-2-4-7-6(3-1)8-5-9-7;/h1-5H;
InChIKeyVBFGECPUTJIXCS-UHFFFAOYSA-N
XLogP1.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.08
LogP ≤ 51.45
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 161250572?
The IUPAC name of CID 161250572 (CID 161250572) is not available.
What is the SMILES notation for CID 161250572?
The canonical SMILES for CID 161250572 is [Se].c1ccc2ocnc2c1.
What is the InChIKey of CID 161250572?
The InChIKey is VBFGECPUTJIXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO.Se/c1-2-4-7-6(3-1)8-5-9-7;/h1-5H;.
What are the key properties of CID 161250572?
CID 161250572 has a molecular weight of 198.08 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161250572 is sourced from PubChem (CID 161250572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).