CID 10466244

C9H8NOSe — CID 10466244

IUPAC—
SMILES[Se]C1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C9H8NOSe/c12-9-10-8(6-11-9)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m0/s1
InChIKeyLFDOAYHNYNQBMK-QMMMGPOBSA-N
MW225.13 g/mol
LogP1.28
Rot. Bonds1

About CID 10466244

CID 10466244 (PubChem CID 10466244) has the molecular formula C9H8NOSe and a molecular weight of 225.13 g/mol.

Molecular Properties

Compound NameCID 10466244
PubChem CID10466244
Molecular FormulaC9H8NOSe
Molecular Weight225.13 g/mol
Exact Mass225.98
IUPAC Name—
SMILES[Se]C1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C9H8NOSe/c12-9-10-8(6-11-9)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m0/s1
InChIKeyLFDOAYHNYNQBMK-QMMMGPOBSA-N
XLogP1.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 51.28
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 10466244?
The IUPAC name of CID 10466244 (CID 10466244) is not available.
What is the SMILES notation for CID 10466244?
The canonical SMILES for CID 10466244 is [Se]C1=N[C@H](c2ccccc2)CO1.
What is the InChIKey of CID 10466244?
The InChIKey is LFDOAYHNYNQBMK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8NOSe/c12-9-10-8(6-11-9)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m0/s1.
What are the key properties of CID 10466244?
CID 10466244 has a molecular weight of 225.13 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10466244 is sourced from PubChem (CID 10466244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).