CID 134981559

C5CrCs2O5 — CID 134981559

IUPAC—
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[Cs].[Cs]
InChIInChI=1S/5CO.Cr.2Cs/c5*1-2;;;
InChIKeyISCXAIUEXSTWPA-UHFFFAOYSA-N
MW457.86 g/mol
LogP-0.95
Rot. Bonds

About CID 134981559

CID 134981559 (PubChem CID 134981559) has the molecular formula C5CrCs2O5 and a molecular weight of 457.86 g/mol.

Molecular Properties

Compound NameCID 134981559
PubChem CID134981559
Molecular FormulaC5CrCs2O5
Molecular Weight457.86 g/mol
Exact Mass457.73
IUPAC Name—
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[Cs].[Cs]
InChIInChI=1S/5CO.Cr.2Cs/c5*1-2;;;
InChIKeyISCXAIUEXSTWPA-UHFFFAOYSA-N
XLogP-0.95
TPSA99.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.86
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134981559?
The IUPAC name of CID 134981559 (CID 134981559) is not available.
What is the SMILES notation for CID 134981559?
The canonical SMILES for CID 134981559 is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[Cs].[Cs].
What is the InChIKey of CID 134981559?
The InChIKey is ISCXAIUEXSTWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/5CO.Cr.2Cs/c5*1-2;;;.
What are the key properties of CID 134981559?
CID 134981559 has a molecular weight of 457.86 g/mol, XLogP of -0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134981559 is sourced from PubChem (CID 134981559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).