CID 14921038

C8H8NSe — CID 14921038

IUPAC—
SMILESC/N=C(\[Se])c1ccccc1
InChIInChI=1S/C8H8NSe/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3/b9-8-
InChIKeyAXWFYNZHOGHCRC-HJWRWDBZSA-N
MW197.12 g/mol
LogP1.23
Rot. Bonds1

About CID 14921038

CID 14921038 (PubChem CID 14921038) has the molecular formula C8H8NSe and a molecular weight of 197.12 g/mol.

Molecular Properties

Compound NameCID 14921038
PubChem CID14921038
Molecular FormulaC8H8NSe
Molecular Weight197.12 g/mol
Exact Mass197.98
IUPAC Name—
SMILESC/N=C(\[Se])c1ccccc1
InChIInChI=1S/C8H8NSe/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3/b9-8-
InChIKeyAXWFYNZHOGHCRC-HJWRWDBZSA-N
XLogP1.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.12
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 14921038?
The IUPAC name of CID 14921038 (CID 14921038) is not available.
What is the SMILES notation for CID 14921038?
The canonical SMILES for CID 14921038 is C/N=C(\[Se])c1ccccc1.
What is the InChIKey of CID 14921038?
The InChIKey is AXWFYNZHOGHCRC-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H8NSe/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3/b9-8-.
What are the key properties of CID 14921038?
CID 14921038 has a molecular weight of 197.12 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14921038 is sourced from PubChem (CID 14921038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).