CID 137145962

C6H6+ — CID 137145962

IUPAC—
SMILES[CH]1C=CC=C[CH+]1
InChIInChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/q+1
InChIKeyHAIIYTFJFNJWGT-UHFFFAOYSA-N
MW78.11 g/mol
LogP1.52
Rot. Bonds

About CID 137145962

CID 137145962 (PubChem CID 137145962) has the molecular formula C6H6+ and a molecular weight of 78.11 g/mol.

Molecular Properties

Compound NameCID 137145962
PubChem CID137145962
Molecular FormulaC6H6+
Molecular Weight78.11 g/mol
Exact Mass78.05
IUPAC Name—
SMILES[CH]1C=CC=C[CH+]1
InChIInChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/q+1
InChIKeyHAIIYTFJFNJWGT-UHFFFAOYSA-N
XLogP1.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.11
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 137145962?
The IUPAC name of CID 137145962 (CID 137145962) is not available.
What is the SMILES notation for CID 137145962?
The canonical SMILES for CID 137145962 is [CH]1C=CC=C[CH+]1.
What is the InChIKey of CID 137145962?
The InChIKey is HAIIYTFJFNJWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/q+1.
What are the key properties of CID 137145962?
CID 137145962 has a molecular weight of 78.11 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137145962 is sourced from PubChem (CID 137145962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).