CID 13439499

C9H10NSe — CID 13439499

IUPAC—
SMILESC/C([Se])=N\Cc1ccccc1
InChIInChI=1S/C9H10NSe/c1-8(11)10-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/b10-8+
InChIKeyJHTVHYNZMYGRBT-CSKARUKUSA-N
MW211.15 g/mol
LogP1.77
Rot. Bonds2

About CID 13439499

CID 13439499 (PubChem CID 13439499) has the molecular formula C9H10NSe and a molecular weight of 211.15 g/mol.

Molecular Properties

Compound NameCID 13439499
PubChem CID13439499
Molecular FormulaC9H10NSe
Molecular Weight211.15 g/mol
Exact Mass212.00
IUPAC Name—
SMILESC/C([Se])=N\Cc1ccccc1
InChIInChI=1S/C9H10NSe/c1-8(11)10-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/b10-8+
InChIKeyJHTVHYNZMYGRBT-CSKARUKUSA-N
XLogP1.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 51.77
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 13439499?
The IUPAC name of CID 13439499 (CID 13439499) is not available.
What is the SMILES notation for CID 13439499?
The canonical SMILES for CID 13439499 is C/C([Se])=N\Cc1ccccc1.
What is the InChIKey of CID 13439499?
The InChIKey is JHTVHYNZMYGRBT-CSKARUKUSA-N. The full InChI is InChI=1S/C9H10NSe/c1-8(11)10-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/b10-8+.
What are the key properties of CID 13439499?
CID 13439499 has a molecular weight of 211.15 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13439499 is sourced from PubChem (CID 13439499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).