CID 175010158

H2BFeO — CID 175010158

IUPAC—
SMILESO.[B].[Fe]
InChIInChI=1S/B.Fe.H2O/h;;1H2
InChIKeyNEZOJADXEUNYGN-UHFFFAOYSA-N
MW84.67 g/mol
LogP-1.21
Rot. Bonds

About CID 175010158

CID 175010158 (PubChem CID 175010158) has the molecular formula H2BFeO and a molecular weight of 84.67 g/mol.

Molecular Properties

Compound NameCID 175010158
PubChem CID175010158
Molecular FormulaH2BFeO
Molecular Weight84.67 g/mol
Exact Mass84.95
IUPAC Name—
SMILESO.[B].[Fe]
InChIInChI=1S/B.Fe.H2O/h;;1H2
InChIKeyNEZOJADXEUNYGN-UHFFFAOYSA-N
XLogP-1.21
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.67
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 175010158 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

iron;dodecahydrate
CID 173337995
iron;hydrate
CID 173302268
iron;trihydrate
CID 56841934
iron;undecahydrate
CID 42626946
iron dihydride;hydrate
CID 175916481
iron;tridecahydrate
CID 173126990
CID 172726649
CID 172726649
iron;trihydrate
CID 173070166
CID 173289940
CID 173289940
CID 173074411
CID 173074411
cobalt;iron;hydrate
CID 156591869
CID 161299063
CID 161299063

Frequently Asked Questions

What is the IUPAC name of CID 175010158?
The IUPAC name of CID 175010158 (CID 175010158) is not available.
What is the SMILES notation for CID 175010158?
The canonical SMILES for CID 175010158 is O.[B].[Fe].
What is the InChIKey of CID 175010158?
The InChIKey is NEZOJADXEUNYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Fe.H2O/h;;1H2.
What are the key properties of CID 175010158?
CID 175010158 has a molecular weight of 84.67 g/mol, XLogP of -1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175010158 is sourced from PubChem (CID 175010158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).