indigane;trihydrate

H9InO3 — CID 6098248

IUPACindigane;trihydrate
SMILESO.O.O.[InH3]
InChIInChI=1S/In.3H2O.3H/h;3*1H2;;;
InChIKeyVCDBKAAWAZTZPA-UHFFFAOYSA-N
MW171.89 g/mol
LogP-3.66
Rot. Bonds

About indigane;trihydrate

indigane;trihydrate (PubChem CID 6098248) has the molecular formula H9InO3 and a molecular weight of 171.89 g/mol. Its IUPAC name is indigane;trihydrate.

Molecular Properties

Compound Nameindigane;trihydrate
PubChem CID6098248
Molecular FormulaH9InO3
Molecular Weight171.89 g/mol
Exact Mass171.96
IUPAC Nameindigane;trihydrate
SMILESO.O.O.[InH3]
InChIInChI=1S/In.3H2O.3H/h;3*1H2;;;
InChIKeyVCDBKAAWAZTZPA-UHFFFAOYSA-N
XLogP-3.66
TPSA94.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.89
LogP ≤ 5-3.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of indigane;trihydrate?
The IUPAC name of indigane;trihydrate (CID 6098248) is indigane;trihydrate.
What is the SMILES notation for indigane;trihydrate?
The canonical SMILES for indigane;trihydrate is O.O.O.[InH3].
What is the InChIKey of indigane;trihydrate?
The InChIKey is VCDBKAAWAZTZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/In.3H2O.3H/h;3*1H2;;;.
What are the key properties of indigane;trihydrate?
indigane;trihydrate has a molecular weight of 171.89 g/mol, XLogP of -3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for indigane;trihydrate is sourced from PubChem (CID 6098248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).