CID 173103986

C18H11Cl2Se — CID 173103986

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
InChIKeyFURXGPKDUXTLFR-UHFFFAOYSA-N
MW377.15 g/mol
LogP5.12
Rot. Bonds2

About CID 173103986

CID 173103986 (PubChem CID 173103986) has the molecular formula C18H11Cl2Se and a molecular weight of 377.15 g/mol.

Molecular Properties

Compound NameCID 173103986
PubChem CID173103986
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
InChIKeyFURXGPKDUXTLFR-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 173103986?
The IUPAC name of CID 173103986 (CID 173103986) is not available.
What is the SMILES notation for CID 173103986?
The canonical SMILES for CID 173103986 is Clc1ccccc1-c1cccc([Se])c1-c1ccccc1Cl.
What is the InChIKey of CID 173103986?
The InChIKey is FURXGPKDUXTLFR-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.
What are the key properties of CID 173103986?
CID 173103986 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 173103986 is sourced from PubChem (CID 173103986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).