CID 15891849

C15H14NSSe — CID 15891849

IUPAC—
SMILESCC(/N=C(\[Se])c1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H14NSSe/c1-12(17-14-10-6-3-7-11-14)16-15(18)13-8-4-2-5-9-13/h2-12H,1H3/b16-15-
InChIKeyJBWSHUAFFBOSRO-NXVVXOECSA-N
MW319.31 g/mol
LogP3.74
Rot. Bonds4

About CID 15891849

CID 15891849 (PubChem CID 15891849) has the molecular formula C15H14NSSe and a molecular weight of 319.31 g/mol.

Molecular Properties

Compound NameCID 15891849
PubChem CID15891849
Molecular FormulaC15H14NSSe
Molecular Weight319.31 g/mol
Exact Mass320.00
IUPAC Name—
SMILESCC(/N=C(\[Se])c1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H14NSSe/c1-12(17-14-10-6-3-7-11-14)16-15(18)13-8-4-2-5-9-13/h2-12H,1H3/b16-15-
InChIKeyJBWSHUAFFBOSRO-NXVVXOECSA-N
XLogP3.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 15891849?
The IUPAC name of CID 15891849 (CID 15891849) is not available.
What is the SMILES notation for CID 15891849?
The canonical SMILES for CID 15891849 is CC(/N=C(\[Se])c1ccccc1)Sc1ccccc1.
What is the InChIKey of CID 15891849?
The InChIKey is JBWSHUAFFBOSRO-NXVVXOECSA-N. The full InChI is InChI=1S/C15H14NSSe/c1-12(17-14-10-6-3-7-11-14)16-15(18)13-8-4-2-5-9-13/h2-12H,1H3/b16-15-.
What are the key properties of CID 15891849?
CID 15891849 has a molecular weight of 319.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15891849 is sourced from PubChem (CID 15891849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).