CID 11782993

C7H7Se — CID 11782993

IUPAC—
SMILESCc1cccc([Se])c1
InChIInChI=1S/C7H7Se/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKeyKLVBXEZTTOTVBR-UHFFFAOYSA-N
MW170.09 g/mol
LogP0.79
Rot. Bonds

About CID 11782993

CID 11782993 (PubChem CID 11782993) has the molecular formula C7H7Se and a molecular weight of 170.09 g/mol.

Molecular Properties

Compound NameCID 11782993
PubChem CID11782993
Molecular FormulaC7H7Se
Molecular Weight170.09 g/mol
Exact Mass170.97
IUPAC Name—
SMILESCc1cccc([Se])c1
InChIInChI=1S/C7H7Se/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKeyKLVBXEZTTOTVBR-UHFFFAOYSA-N
XLogP0.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.09
LogP ≤ 50.79
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 11782993?
The IUPAC name of CID 11782993 (CID 11782993) is not available.
What is the SMILES notation for CID 11782993?
The canonical SMILES for CID 11782993 is Cc1cccc([Se])c1.
What is the InChIKey of CID 11782993?
The InChIKey is KLVBXEZTTOTVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Se/c1-6-3-2-4-7(8)5-6/h2-5H,1H3.
What are the key properties of CID 11782993?
CID 11782993 has a molecular weight of 170.09 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11782993 is sourced from PubChem (CID 11782993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).