CID 87547372

C18H11Cl2Se+ — CID 87547372

IUPAC—
SMILESClc1ccccc1-c1cccc([Se+])c1-c1ccccc1Cl
InChIInChI=1S/C18H11Cl2Se/c19-15-9-3-1-6-12(15)13-8-5-11-17(21)18(13)14-7-2-4-10-16(14)20/h1-11H/q+1
InChIKeyHHFDSGAUFVBSAV-UHFFFAOYSA-N
MW377.15 g/mol
LogP5.12
Rot. Bonds2

About CID 87547372

CID 87547372 (PubChem CID 87547372) has the molecular formula C18H11Cl2Se+ and a molecular weight of 377.15 g/mol.

Molecular Properties

Compound NameCID 87547372
PubChem CID87547372
Molecular FormulaC18H11Cl2Se+
Molecular Weight377.15 g/mol
Exact Mass376.94
IUPAC Name—
SMILESClc1ccccc1-c1cccc([Se+])c1-c1ccccc1Cl
InChIInChI=1S/C18H11Cl2Se/c19-15-9-3-1-6-12(15)13-8-5-11-17(21)18(13)14-7-2-4-10-16(14)20/h1-11H/q+1
InChIKeyHHFDSGAUFVBSAV-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.15
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87547372?
The IUPAC name of CID 87547372 (CID 87547372) is not available.
What is the SMILES notation for CID 87547372?
The canonical SMILES for CID 87547372 is Clc1ccccc1-c1cccc([Se+])c1-c1ccccc1Cl.
What is the InChIKey of CID 87547372?
The InChIKey is HHFDSGAUFVBSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2Se/c19-15-9-3-1-6-12(15)13-8-5-11-17(21)18(13)14-7-2-4-10-16(14)20/h1-11H/q+1.
What are the key properties of CID 87547372?
CID 87547372 has a molecular weight of 377.15 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87547372 is sourced from PubChem (CID 87547372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).