CID 174726950

H6BFeNO4PPr — CID 174726950

IUPAC—
SMILESN.O=P(O)(O)O.[B].[Fe].[Pr]
InChIInChI=1S/B.Fe.H3N.H3O4P.Pr/c;;;1-5(2,3)4;/h;;1H3;(H3,1,2,3,4);
InChIKeyIBQDCMZDCBIJMZ-UHFFFAOYSA-N
MW322.59 g/mol
LogP-1.15
Rot. Bonds

About CID 174726950

CID 174726950 (PubChem CID 174726950) has the molecular formula H6BFeNO4PPr and a molecular weight of 322.59 g/mol.

Molecular Properties

Compound NameCID 174726950
PubChem CID174726950
Molecular FormulaH6BFeNO4PPr
Molecular Weight322.59 g/mol
Exact Mass322.86
IUPAC Name—
SMILESN.O=P(O)(O)O.[B].[Fe].[Pr]
InChIInChI=1S/B.Fe.H3N.H3O4P.Pr/c;;;1-5(2,3)4;/h;;1H3;(H3,1,2,3,4);
InChIKeyIBQDCMZDCBIJMZ-UHFFFAOYSA-N
XLogP-1.15
TPSA112.76 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174883950

Frequently Asked Questions

What is the IUPAC name of CID 174726950?
The IUPAC name of CID 174726950 (CID 174726950) is not available.
What is the SMILES notation for CID 174726950?
The canonical SMILES for CID 174726950 is N.O=P(O)(O)O.[B].[Fe].[Pr].
What is the InChIKey of CID 174726950?
The InChIKey is IBQDCMZDCBIJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Fe.H3N.H3O4P.Pr/c;;;1-5(2,3)4;/h;;1H3;(H3,1,2,3,4);.
What are the key properties of CID 174726950?
CID 174726950 has a molecular weight of 322.59 g/mol, XLogP of -1.15, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174726950 is sourced from PubChem (CID 174726950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).