dihydrate;trihydrochloride

H7Cl3O2 — CID 18982059

IUPACdihydrate;trihydrochloride
SMILESCl.Cl.Cl.O.O
InChIInChI=1S/3ClH.2H2O/h3*1H;2*1H2
InChIKeyIZCQDRVQVRENLX-UHFFFAOYSA-N
MW145.41 g/mol
LogP-0.38
Rot. Bonds

About dihydrate;trihydrochloride

dihydrate;trihydrochloride (PubChem CID 18982059) has the molecular formula H7Cl3O2 and a molecular weight of 145.41 g/mol. Its IUPAC name is dihydrate;trihydrochloride.

Molecular Properties

Compound Namedihydrate;trihydrochloride
PubChem CID18982059
Molecular FormulaH7Cl3O2
Molecular Weight145.41 g/mol
Exact Mass143.95
IUPAC Namedihydrate;trihydrochloride
SMILESCl.Cl.Cl.O.O
InChIInChI=1S/3ClH.2H2O/h3*1H;2*1H2
InChIKeyIZCQDRVQVRENLX-UHFFFAOYSA-N
XLogP-0.38
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.41
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dihydrate;trihydrochloride?
The IUPAC name of dihydrate;trihydrochloride (CID 18982059) is dihydrate;trihydrochloride.
What is the SMILES notation for dihydrate;trihydrochloride?
The canonical SMILES for dihydrate;trihydrochloride is Cl.Cl.Cl.O.O.
What is the InChIKey of dihydrate;trihydrochloride?
The InChIKey is IZCQDRVQVRENLX-UHFFFAOYSA-N. The full InChI is InChI=1S/3ClH.2H2O/h3*1H;2*1H2.
What are the key properties of dihydrate;trihydrochloride?
dihydrate;trihydrochloride has a molecular weight of 145.41 g/mol, XLogP of -0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihydrate;trihydrochloride is sourced from PubChem (CID 18982059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).