CID 156800178

C7H6BRe- — CID 156800178

IUPAC—
SMILES[B]c1[c-]cc(C)cc1.[Re]
InChIInChI=1S/C7H6B.Re/c1-6-2-4-7(8)5-3-6;/h2-4H,1H3;/q-1;
InChIKeyZELIBFXKPFGRNG-UHFFFAOYSA-N
MW287.14 g/mol
LogP0.59
Rot. Bonds

About CID 156800178

CID 156800178 (PubChem CID 156800178) has the molecular formula C7H6BRe- and a molecular weight of 287.14 g/mol.

Molecular Properties

Compound NameCID 156800178
PubChem CID156800178
Molecular FormulaC7H6BRe-
Molecular Weight287.14 g/mol
Exact Mass288.01
IUPAC Name—
SMILES[B]c1[c-]cc(C)cc1.[Re]
InChIInChI=1S/C7H6B.Re/c1-6-2-4-7(8)5-3-6;/h2-4H,1H3;/q-1;
InChIKeyZELIBFXKPFGRNG-UHFFFAOYSA-N
XLogP0.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 156800178?
The IUPAC name of CID 156800178 (CID 156800178) is not available.
What is the SMILES notation for CID 156800178?
The canonical SMILES for CID 156800178 is [B]c1[c-]cc(C)cc1.[Re].
What is the InChIKey of CID 156800178?
The InChIKey is ZELIBFXKPFGRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6B.Re/c1-6-2-4-7(8)5-3-6;/h2-4H,1H3;/q-1;.
What are the key properties of CID 156800178?
CID 156800178 has a molecular weight of 287.14 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156800178 is sourced from PubChem (CID 156800178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).