CID 42638706

C10H10Fe+3 — CID 42638706

IUPAC—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+3]
InChIInChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q;;+3
InChIKeyFABSBHXMGUJIKD-UHFFFAOYSA-N
MW186.03 g/mol
LogP2.04
Rot. Bonds

About CID 42638706

CID 42638706 (PubChem CID 42638706) has the molecular formula C10H10Fe+3 and a molecular weight of 186.03 g/mol.

Molecular Properties

Compound NameCID 42638706
PubChem CID42638706
Molecular FormulaC10H10Fe+3
Molecular Weight186.03 g/mol
Exact Mass186.01
IUPAC Name—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+3]
InChIInChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q;;+3
InChIKeyFABSBHXMGUJIKD-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.03
LogP ≤ 52.04
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 42638706?
The IUPAC name of CID 42638706 (CID 42638706) is not available.
What is the SMILES notation for CID 42638706?
The canonical SMILES for CID 42638706 is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+3].
What is the InChIKey of CID 42638706?
The InChIKey is FABSBHXMGUJIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q;;+3.
What are the key properties of CID 42638706?
CID 42638706 has a molecular weight of 186.03 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 42638706 is sourced from PubChem (CID 42638706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).