CID 10757753

C19H16FeO+2 — CID 10757753

IUPAC—
SMILESC#CC(O)([C]1[CH][CH][CH][CH]1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H11O.C5H5.Fe/c1-2-14(15,13-10-6-7-11-13)12-8-4-3-5-9-12;1-2-4-5-3-1;/h1,3-11,15H;1-5H;/q;;+2
InChIKeyDBZDAAJKGWWYIM-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.93
Rot. Bonds2

About CID 10757753

CID 10757753 (PubChem CID 10757753) has the molecular formula C19H16FeO+2 and a molecular weight of 316.18 g/mol.

Molecular Properties

Compound NameCID 10757753
PubChem CID10757753
Molecular FormulaC19H16FeO+2
Molecular Weight316.18 g/mol
Exact Mass316.05
IUPAC Name—
SMILESC#CC(O)([C]1[CH][CH][CH][CH]1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H11O.C5H5.Fe/c1-2-14(15,13-10-6-7-11-13)12-8-4-3-5-9-12;1-2-4-5-3-1;/h1,3-11,15H;1-5H;/q;;+2
InChIKeyDBZDAAJKGWWYIM-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 10757753?
The IUPAC name of CID 10757753 (CID 10757753) is not available.
What is the SMILES notation for CID 10757753?
The canonical SMILES for CID 10757753 is C#CC(O)([C]1[CH][CH][CH][CH]1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10757753?
The InChIKey is DBZDAAJKGWWYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11O.C5H5.Fe/c1-2-14(15,13-10-6-7-11-13)12-8-4-3-5-9-12;1-2-4-5-3-1;/h1,3-11,15H;1-5H;/q;;+2.
What are the key properties of CID 10757753?
CID 10757753 has a molecular weight of 316.18 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10757753 is sourced from PubChem (CID 10757753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).