dihydrate;dihydrochloride

H6Cl2O2 — CID 22605900

IUPACdihydrate;dihydrochloride
SMILESCl.Cl.O.O
InChIInChI=1S/2ClH.2H2O/h2*1H;2*1H2
InChIKeyCKQQMPJQZXIYMJ-UHFFFAOYSA-N
MW108.95 g/mol
LogP-0.81
Rot. Bonds

About dihydrate;dihydrochloride

dihydrate;dihydrochloride (PubChem CID 22605900) has the molecular formula H6Cl2O2 and a molecular weight of 108.95 g/mol. Its IUPAC name is dihydrate;dihydrochloride.

Molecular Properties

Compound Namedihydrate;dihydrochloride
PubChem CID22605900
Molecular FormulaH6Cl2O2
Molecular Weight108.95 g/mol
Exact Mass107.97
IUPAC Namedihydrate;dihydrochloride
SMILESCl.Cl.O.O
InChIInChI=1S/2ClH.2H2O/h2*1H;2*1H2
InChIKeyCKQQMPJQZXIYMJ-UHFFFAOYSA-N
XLogP-0.81
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.95
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dihydrate;dihydrochloride?
The IUPAC name of dihydrate;dihydrochloride (CID 22605900) is dihydrate;dihydrochloride.
What is the SMILES notation for dihydrate;dihydrochloride?
The canonical SMILES for dihydrate;dihydrochloride is Cl.Cl.O.O.
What is the InChIKey of dihydrate;dihydrochloride?
The InChIKey is CKQQMPJQZXIYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2ClH.2H2O/h2*1H;2*1H2.
What are the key properties of dihydrate;dihydrochloride?
dihydrate;dihydrochloride has a molecular weight of 108.95 g/mol, XLogP of -0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihydrate;dihydrochloride is sourced from PubChem (CID 22605900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).