CID 132935962

C11H12ClN2Se — CID 132935962

IUPAC—
SMILESCc1ccc(CC2=CNC(N)=[Se]2)cc1Cl
InChIInChI=1S/C11H12ClN2Se/c1-7-2-3-8(5-10(7)12)4-9-6-14-11(13)15-9/h2-3,5-6,14H,4,13H2,1H3
InChIKeyUMQAOTMSJSGRJD-UHFFFAOYSA-N
MW286.64 g/mol
LogP1.39
Rot. Bonds2

About CID 132935962

CID 132935962 (PubChem CID 132935962) has the molecular formula C11H12ClN2Se and a molecular weight of 286.64 g/mol.

Molecular Properties

Compound NameCID 132935962
PubChem CID132935962
Molecular FormulaC11H12ClN2Se
Molecular Weight286.64 g/mol
Exact Mass286.99
IUPAC Name—
SMILESCc1ccc(CC2=CNC(N)=[Se]2)cc1Cl
InChIInChI=1S/C11H12ClN2Se/c1-7-2-3-8(5-10(7)12)4-9-6-14-11(13)15-9/h2-3,5-6,14H,4,13H2,1H3
InChIKeyUMQAOTMSJSGRJD-UHFFFAOYSA-N
XLogP1.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.64
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 132935962?
The IUPAC name of CID 132935962 (CID 132935962) is not available.
What is the SMILES notation for CID 132935962?
The canonical SMILES for CID 132935962 is Cc1ccc(CC2=CNC(N)=[Se]2)cc1Cl.
What is the InChIKey of CID 132935962?
The InChIKey is UMQAOTMSJSGRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN2Se/c1-7-2-3-8(5-10(7)12)4-9-6-14-11(13)15-9/h2-3,5-6,14H,4,13H2,1H3.
What are the key properties of CID 132935962?
CID 132935962 has a molecular weight of 286.64 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132935962 is sourced from PubChem (CID 132935962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).