CID 11573267

C18H15FeNO+2 — CID 11573267

IUPAC—
SMILESO=C(/C=C/c1ccccn1)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C13H10NO.C5H5.Fe/c15-13(11-5-1-2-6-11)9-8-12-7-3-4-10-14-12;1-2-4-5-3-1;/h1-10H;1-5H;/q;;+2/b9-8+;;
InChIKeyICJUVFAAINVZOW-YEUQMBKVSA-N
MW317.17 g/mol
LogP3.09
Rot. Bonds3

About CID 11573267

CID 11573267 (PubChem CID 11573267) has the molecular formula C18H15FeNO+2 and a molecular weight of 317.17 g/mol.

Molecular Properties

Compound NameCID 11573267
PubChem CID11573267
Molecular FormulaC18H15FeNO+2
Molecular Weight317.17 g/mol
Exact Mass317.05
IUPAC Name—
SMILESO=C(/C=C/c1ccccn1)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C13H10NO.C5H5.Fe/c15-13(11-5-1-2-6-11)9-8-12-7-3-4-10-14-12;1-2-4-5-3-1;/h1-10H;1-5H;/q;;+2/b9-8+;;
InChIKeyICJUVFAAINVZOW-YEUQMBKVSA-N
XLogP3.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 11573267 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 11573267?
The IUPAC name of CID 11573267 (CID 11573267) is not available.
What is the SMILES notation for CID 11573267?
The canonical SMILES for CID 11573267 is O=C(/C=C/c1ccccn1)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11573267?
The InChIKey is ICJUVFAAINVZOW-YEUQMBKVSA-N. The full InChI is InChI=1S/C13H10NO.C5H5.Fe/c15-13(11-5-1-2-6-11)9-8-12-7-3-4-10-14-12;1-2-4-5-3-1;/h1-10H;1-5H;/q;;+2/b9-8+;;.
What are the key properties of CID 11573267?
CID 11573267 has a molecular weight of 317.17 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11573267 is sourced from PubChem (CID 11573267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).