hexahydrate;trihydrochloride

H15Cl3O6 — CID 23165417

IUPAChexahydrate;trihydrochloride
SMILESCl.Cl.Cl.O.O.O.O.O.O
InChIInChI=1S/3ClH.6H2O/h3*1H;6*1H2
InChIKeyLTGQWIGRJSKNBP-UHFFFAOYSA-N
MW217.47 g/mol
LogP-3.68
Rot. Bonds

About hexahydrate;trihydrochloride

hexahydrate;trihydrochloride (PubChem CID 23165417) has the molecular formula H15Cl3O6 and a molecular weight of 217.47 g/mol. Its IUPAC name is hexahydrate;trihydrochloride.

Molecular Properties

Compound Namehexahydrate;trihydrochloride
PubChem CID23165417
Molecular FormulaH15Cl3O6
Molecular Weight217.47 g/mol
Exact Mass215.99
IUPAC Namehexahydrate;trihydrochloride
SMILESCl.Cl.Cl.O.O.O.O.O.O
InChIInChI=1S/3ClH.6H2O/h3*1H;6*1H2
InChIKeyLTGQWIGRJSKNBP-UHFFFAOYSA-N
XLogP-3.68
TPSA189.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.47
LogP ≤ 5-3.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of hexahydrate;trihydrochloride?
The IUPAC name of hexahydrate;trihydrochloride (CID 23165417) is hexahydrate;trihydrochloride.
What is the SMILES notation for hexahydrate;trihydrochloride?
The canonical SMILES for hexahydrate;trihydrochloride is Cl.Cl.Cl.O.O.O.O.O.O.
What is the InChIKey of hexahydrate;trihydrochloride?
The InChIKey is LTGQWIGRJSKNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/3ClH.6H2O/h3*1H;6*1H2.
What are the key properties of hexahydrate;trihydrochloride?
hexahydrate;trihydrochloride has a molecular weight of 217.47 g/mol, XLogP of -3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexahydrate;trihydrochloride is sourced from PubChem (CID 23165417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).