CID 11404733

C19H18FeN2+2 — CID 11404733

IUPAC—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C](C(c2ccc[nH]2)c2ccc[nH]2)[CH]1.[Fe+2]
InChIInChI=1S/C14H13N2.C5H5.Fe/c1-2-6-11(5-1)14(12-7-3-9-15-12)13-8-4-10-16-13;1-2-4-5-3-1;/h1-10,14-16H;1-5H;/q;;+2
InChIKeyVKCNOYPYMQCPJC-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.90
Rot. Bonds3

About CID 11404733

CID 11404733 (PubChem CID 11404733) has the molecular formula C19H18FeN2+2 and a molecular weight of 330.21 g/mol.

Molecular Properties

Compound NameCID 11404733
PubChem CID11404733
Molecular FormulaC19H18FeN2+2
Molecular Weight330.21 g/mol
Exact Mass330.08
IUPAC Name—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C](C(c2ccc[nH]2)c2ccc[nH]2)[CH]1.[Fe+2]
InChIInChI=1S/C14H13N2.C5H5.Fe/c1-2-6-11(5-1)14(12-7-3-9-15-12)13-8-4-10-16-13;1-2-4-5-3-1;/h1-10,14-16H;1-5H;/q;;+2
InChIKeyVKCNOYPYMQCPJC-UHFFFAOYSA-N
XLogP3.90
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.90
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 11404733?
The IUPAC name of CID 11404733 (CID 11404733) is not available.
What is the SMILES notation for CID 11404733?
The canonical SMILES for CID 11404733 is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C](C(c2ccc[nH]2)c2ccc[nH]2)[CH]1.[Fe+2].
What is the InChIKey of CID 11404733?
The InChIKey is VKCNOYPYMQCPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2.C5H5.Fe/c1-2-6-11(5-1)14(12-7-3-9-15-12)13-8-4-10-16-13;1-2-4-5-3-1;/h1-10,14-16H;1-5H;/q;;+2.
What are the key properties of CID 11404733?
CID 11404733 has a molecular weight of 330.21 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11404733 is sourced from PubChem (CID 11404733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).