CID 11173820

C17H15FeO+2 — CID 11173820

IUPAC—
SMILESO[C]([C]1[CH][CH][CH][CH]1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C12H10O.C5H5.Fe/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-4-5-3-1;/h1-9,13H;1-5H;/q;;+2
InChIKeyNKHFAHZTAQEJHY-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.36
Rot. Bonds2

About CID 11173820

CID 11173820 (PubChem CID 11173820) has the molecular formula C17H15FeO+2 and a molecular weight of 291.15 g/mol.

Molecular Properties

Compound NameCID 11173820
PubChem CID11173820
Molecular FormulaC17H15FeO+2
Molecular Weight291.15 g/mol
Exact Mass291.05
IUPAC Name—
SMILESO[C]([C]1[CH][CH][CH][CH]1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C12H10O.C5H5.Fe/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-4-5-3-1;/h1-9,13H;1-5H;/q;;+2
InChIKeyNKHFAHZTAQEJHY-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 11173820 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 12505640
CID 12505640
CID 10525362
CID 10525362
CID 135081925
CID 135081925
CID 11733035
CID 11733035
1-sulfanylperoxyethenylbenzene
CID 89301508
CID 11129167
CID 11129167
(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
O-sulfanyl benzenecarbothioate
CID 141463244
CID 11100055
CID 11100055
CID 11146858
CID 11146858
phenacyl
CID 11123355
CID 67882804
CID 67882804

Frequently Asked Questions

What is the IUPAC name of CID 11173820?
The IUPAC name of CID 11173820 (CID 11173820) is not available.
What is the SMILES notation for CID 11173820?
The canonical SMILES for CID 11173820 is O[C]([C]1[CH][CH][CH][CH]1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11173820?
The InChIKey is NKHFAHZTAQEJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C5H5.Fe/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-4-5-3-1;/h1-9,13H;1-5H;/q;;+2.
What are the key properties of CID 11173820?
CID 11173820 has a molecular weight of 291.15 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11173820 is sourced from PubChem (CID 11173820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).