CID 73212810

C19H15FeNO2+2 — CID 73212810

IUPAC—
SMILESO=C1Nc2ccc(O)cc2/C1=C/[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H10NO2.C5H5.Fe/c16-10-5-6-13-11(8-10)12(14(17)15-13)7-9-3-1-2-4-9;1-2-4-5-3-1;/h1-8,16H,(H,15,17);1-5H;/q;;+2/b12-7-;;
InChIKeyOOWWTAHFLYGMPM-BPNVQINPSA-N
MW345.18 g/mol
LogP3.15
Rot. Bonds1

About CID 73212810

CID 73212810 (PubChem CID 73212810) has the molecular formula C19H15FeNO2+2 and a molecular weight of 345.18 g/mol.

Molecular Properties

Compound NameCID 73212810
PubChem CID73212810
Molecular FormulaC19H15FeNO2+2
Molecular Weight345.18 g/mol
Exact Mass345.04
IUPAC Name—
SMILESO=C1Nc2ccc(O)cc2/C1=C/[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H10NO2.C5H5.Fe/c16-10-5-6-13-11(8-10)12(14(17)15-13)7-9-3-1-2-4-9;1-2-4-5-3-1;/h1-8,16H,(H,15,17);1-5H;/q;;+2/b12-7-;;
InChIKeyOOWWTAHFLYGMPM-BPNVQINPSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 73212810?
The IUPAC name of CID 73212810 (CID 73212810) is not available.
What is the SMILES notation for CID 73212810?
The canonical SMILES for CID 73212810 is O=C1Nc2ccc(O)cc2/C1=C/[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 73212810?
The InChIKey is OOWWTAHFLYGMPM-BPNVQINPSA-N. The full InChI is InChI=1S/C14H10NO2.C5H5.Fe/c16-10-5-6-13-11(8-10)12(14(17)15-13)7-9-3-1-2-4-9;1-2-4-5-3-1;/h1-8,16H,(H,15,17);1-5H;/q;;+2/b12-7-;;.
What are the key properties of CID 73212810?
CID 73212810 has a molecular weight of 345.18 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 73212810 is sourced from PubChem (CID 73212810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).