CID 10881643

C12H18Cl2FeN2+2 — CID 10881643

IUPAC—
SMILES[Cl-].[Cl-].[Fe+2].[NH3+]C[C]1[CH][CH][CH][CH]1.[NH3+]C[C]1[CH][CH][CH][CH]1
InChIInChI=1S/2C6H8N.2ClH.Fe/c2*7-5-6-3-1-2-4-6;;;/h2*1-4H,5,7H2;2*1H;/q;;;;+2
InChIKeyMMBJWPARDAATIY-UHFFFAOYSA-N
MW317.04 g/mol
LogP-6.73
Rot. Bonds2

About CID 10881643

CID 10881643 (PubChem CID 10881643) has the molecular formula C12H18Cl2FeN2+2 and a molecular weight of 317.04 g/mol.

Molecular Properties

Compound NameCID 10881643
PubChem CID10881643
Molecular FormulaC12H18Cl2FeN2+2
Molecular Weight317.04 g/mol
Exact Mass316.02
IUPAC Name—
SMILES[Cl-].[Cl-].[Fe+2].[NH3+]C[C]1[CH][CH][CH][CH]1.[NH3+]C[C]1[CH][CH][CH][CH]1
InChIInChI=1S/2C6H8N.2ClH.Fe/c2*7-5-6-3-1-2-4-6;;;/h2*1-4H,5,7H2;2*1H;/q;;;;+2
InChIKeyMMBJWPARDAATIY-UHFFFAOYSA-N
XLogP-6.73
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.04
LogP ≤ 5-6.73
H-Bond Donors ≤ 52
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 10881643?
The IUPAC name of CID 10881643 (CID 10881643) is not available.
What is the SMILES notation for CID 10881643?
The canonical SMILES for CID 10881643 is [Cl-].[Cl-].[Fe+2].[NH3+]C[C]1[CH][CH][CH][CH]1.[NH3+]C[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 10881643?
The InChIKey is MMBJWPARDAATIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8N.2ClH.Fe/c2*7-5-6-3-1-2-4-6;;;/h2*1-4H,5,7H2;2*1H;/q;;;;+2.
What are the key properties of CID 10881643?
CID 10881643 has a molecular weight of 317.04 g/mol, XLogP of -6.73, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10881643 is sourced from PubChem (CID 10881643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).