CID 158510007

C10H10BFeO6 — CID 158510007

IUPAC—
SMILESO=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.[3H][B]C.[Fe]
InChIInChI=1S/C9H6O6.CH4B.Fe/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-2;/h1-3H,(H,10,11)(H,12,13)(H,14,15);2H,1H3;/i;2T;
InChIKeyPJVKINGNEJVRGJ-RUZFEROCSA-N
MW294.85 g/mol
LogP0.71
Rot. Bonds3

About CID 158510007

CID 158510007 (PubChem CID 158510007) has the molecular formula C10H10BFeO6 and a molecular weight of 294.85 g/mol.

Molecular Properties

Compound NameCID 158510007
PubChem CID158510007
Molecular FormulaC10H10BFeO6
Molecular Weight294.85 g/mol
Exact Mass295.00
IUPAC Name—
SMILESO=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.[3H][B]C.[Fe]
InChIInChI=1S/C9H6O6.CH4B.Fe/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-2;/h1-3H,(H,10,11)(H,12,13)(H,14,15);2H,1H3;/i;2T;
InChIKeyPJVKINGNEJVRGJ-RUZFEROCSA-N
XLogP0.71
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 158510007?
The IUPAC name of CID 158510007 (CID 158510007) is not available.
What is the SMILES notation for CID 158510007?
The canonical SMILES for CID 158510007 is O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.[3H][B]C.[Fe].
What is the InChIKey of CID 158510007?
The InChIKey is PJVKINGNEJVRGJ-RUZFEROCSA-N. The full InChI is InChI=1S/C9H6O6.CH4B.Fe/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-2;/h1-3H,(H,10,11)(H,12,13)(H,14,15);2H,1H3;/i;2T;.
What are the key properties of CID 158510007?
CID 158510007 has a molecular weight of 294.85 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158510007 is sourced from PubChem (CID 158510007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).