CID 22845526

C22H20NSe — CID 22845526

IUPAC—
SMILESC[C@H](/N=C(\[Se])c1ccccc1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NSe/c1-17(19-12-6-3-7-13-19)23-22(24)21-15-9-8-14-20(21)16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3/b23-22-/t17-/m0/s1
InChIKeyJXWRWNTZXSQNJT-ANZZGNCFSA-N
MW377.37 g/mol
LogP4.95
Rot. Bonds5

About CID 22845526

CID 22845526 (PubChem CID 22845526) has the molecular formula C22H20NSe and a molecular weight of 377.37 g/mol.

Molecular Properties

Compound NameCID 22845526
PubChem CID22845526
Molecular FormulaC22H20NSe
Molecular Weight377.37 g/mol
Exact Mass378.08
IUPAC Name—
SMILESC[C@H](/N=C(\[Se])c1ccccc1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NSe/c1-17(19-12-6-3-7-13-19)23-22(24)21-15-9-8-14-20(21)16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3/b23-22-/t17-/m0/s1
InChIKeyJXWRWNTZXSQNJT-ANZZGNCFSA-N
XLogP4.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.95
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 22845526?
The IUPAC name of CID 22845526 (CID 22845526) is not available.
What is the SMILES notation for CID 22845526?
The canonical SMILES for CID 22845526 is C[C@H](/N=C(\[Se])c1ccccc1Cc1ccccc1)c1ccccc1.
What is the InChIKey of CID 22845526?
The InChIKey is JXWRWNTZXSQNJT-ANZZGNCFSA-N. The full InChI is InChI=1S/C22H20NSe/c1-17(19-12-6-3-7-13-19)23-22(24)21-15-9-8-14-20(21)16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3/b23-22-/t17-/m0/s1.
What are the key properties of CID 22845526?
CID 22845526 has a molecular weight of 377.37 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22845526 is sourced from PubChem (CID 22845526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).