iron;hydrate

H2Fe17O — CID 173302268

IUPACiron;hydrate
SMILESO.[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/17Fe.H2O/h;;;;;;;;;;;;;;;;;1H2
InChIKeyUSQJXEFEAVEQIU-UHFFFAOYSA-N
MW967.38 g/mol
LogP-0.87
Rot. Bonds

About iron;hydrate

iron;hydrate (PubChem CID 173302268) has the molecular formula H2Fe17O and a molecular weight of 967.38 g/mol. Its IUPAC name is iron;hydrate.

Molecular Properties

Compound Nameiron;hydrate
PubChem CID173302268
Molecular FormulaH2Fe17O
Molecular Weight967.38 g/mol
Exact Mass968.90
IUPAC Nameiron;hydrate
SMILESO.[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/17Fe.H2O/h;;;;;;;;;;;;;;;;;1H2
InChIKeyUSQJXEFEAVEQIU-UHFFFAOYSA-N
XLogP-0.87
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500967.38
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze iron;hydrate 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;trihydrate
CID 56841934
iron;undecahydrate
CID 42626946
iron dihydride;hydrate
CID 175916481
iron;tridecahydrate
CID 173126990
iron;trihydrate
CID 173070166
iron;λ2-plumbane;hydrate
CID 174833676
cobalt;iron;hydrate
CID 156591869
chromium;iron;trihydrate
CID 173372946
CID 170843835
CID 170843835
CID 53244352
CID 53244352
iron;heptahydrate;hydrochloride
CID 173205623

Frequently Asked Questions

What is the IUPAC name of iron;hydrate?
The IUPAC name of iron;hydrate (CID 173302268) is iron;hydrate.
What is the SMILES notation for iron;hydrate?
The canonical SMILES for iron;hydrate is O.[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].
What is the InChIKey of iron;hydrate?
The InChIKey is USQJXEFEAVEQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/17Fe.H2O/h;;;;;;;;;;;;;;;;;1H2.
What are the key properties of iron;hydrate?
iron;hydrate has a molecular weight of 967.38 g/mol, XLogP of -0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron;hydrate is sourced from PubChem (CID 173302268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).