CID 175510692

H3BFe2NNdSm — CID 175510692

IUPAC—
SMILESN.[B].[Fe].[Fe].[Nd].[Sm]
InChIInChI=1S/B.2Fe.H3N.Nd.Sm/h;;;1H3;;
InChIKeyBYLMHHOAUIYWMQ-UHFFFAOYSA-N
MW434.13 g/mol
LogP-0.22
Rot. Bonds

About CID 175510692

CID 175510692 (PubChem CID 175510692) has the molecular formula H3BFe2NNdSm and a molecular weight of 434.13 g/mol.

Molecular Properties

Compound NameCID 175510692
PubChem CID175510692
Molecular FormulaH3BFe2NNdSm
Molecular Weight434.13 g/mol
Exact Mass433.73
IUPAC Name—
SMILESN.[B].[Fe].[Fe].[Nd].[Sm]
InChIInChI=1S/B.2Fe.H3N.Nd.Sm/h;;;1H3;;
InChIKeyBYLMHHOAUIYWMQ-UHFFFAOYSA-N
XLogP-0.22
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.13
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 175510692?
The IUPAC name of CID 175510692 (CID 175510692) is not available.
What is the SMILES notation for CID 175510692?
The canonical SMILES for CID 175510692 is N.[B].[Fe].[Fe].[Nd].[Sm].
What is the InChIKey of CID 175510692?
The InChIKey is BYLMHHOAUIYWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/B.2Fe.H3N.Nd.Sm/h;;;1H3;;.
What are the key properties of CID 175510692?
CID 175510692 has a molecular weight of 434.13 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175510692 is sourced from PubChem (CID 175510692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).