CID 58751454

C10H6F3N2ORu — CID 58751454

IUPAC—
SMILESCc1ccc(-c2n[c-]no2)cc1C(F)(F)F.[Ru+]
InChIInChI=1S/C10H6F3N2O.Ru/c1-6-2-3-7(9-14-5-15-16-9)4-8(6)10(11,12)13;/h2-4H,1H3;/q-1;+1
InChIKeyVGLYKKBCVMWJOC-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.86
Rot. Bonds1

About CID 58751454

CID 58751454 (PubChem CID 58751454) has the molecular formula C10H6F3N2ORu and a molecular weight of 328.24 g/mol.

Molecular Properties

Compound NameCID 58751454
PubChem CID58751454
Molecular FormulaC10H6F3N2ORu
Molecular Weight328.24 g/mol
Exact Mass328.95
IUPAC Name—
SMILESCc1ccc(-c2n[c-]no2)cc1C(F)(F)F.[Ru+]
InChIInChI=1S/C10H6F3N2O.Ru/c1-6-2-3-7(9-14-5-15-16-9)4-8(6)10(11,12)13;/h2-4H,1H3;/q-1;+1
InChIKeyVGLYKKBCVMWJOC-UHFFFAOYSA-N
XLogP2.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 58751454 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58751454?
The IUPAC name of CID 58751454 (CID 58751454) is not available.
What is the SMILES notation for CID 58751454?
The canonical SMILES for CID 58751454 is Cc1ccc(-c2n[c-]no2)cc1C(F)(F)F.[Ru+].
What is the InChIKey of CID 58751454?
The InChIKey is VGLYKKBCVMWJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N2O.Ru/c1-6-2-3-7(9-14-5-15-16-9)4-8(6)10(11,12)13;/h2-4H,1H3;/q-1;+1.
What are the key properties of CID 58751454?
CID 58751454 has a molecular weight of 328.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58751454 is sourced from PubChem (CID 58751454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).