pentahydrate;hydrochloride

H11ClO5 — CID 22282743

IUPACpentahydrate;hydrochloride
SMILESCl.O.O.O.O.O
InChIInChI=1S/ClH.5H2O/h1H;5*1H2
InChIKeyVSQWEQPBUBDQJU-UHFFFAOYSA-N
MW126.54 g/mol
LogP-3.70
Rot. Bonds

About pentahydrate;hydrochloride

pentahydrate;hydrochloride (PubChem CID 22282743) has the molecular formula H11ClO5 and a molecular weight of 126.54 g/mol. Its IUPAC name is pentahydrate;hydrochloride.

Molecular Properties

Compound Namepentahydrate;hydrochloride
PubChem CID22282743
Molecular FormulaH11ClO5
Molecular Weight126.54 g/mol
Exact Mass126.03
IUPAC Namepentahydrate;hydrochloride
SMILESCl.O.O.O.O.O
InChIInChI=1S/ClH.5H2O/h1H;5*1H2
InChIKeyVSQWEQPBUBDQJU-UHFFFAOYSA-N
XLogP-3.70
TPSA157.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.54
LogP ≤ 5-3.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentahydrate;hydrochloride?
The IUPAC name of pentahydrate;hydrochloride (CID 22282743) is pentahydrate;hydrochloride.
What is the SMILES notation for pentahydrate;hydrochloride?
The canonical SMILES for pentahydrate;hydrochloride is Cl.O.O.O.O.O.
What is the InChIKey of pentahydrate;hydrochloride?
The InChIKey is VSQWEQPBUBDQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.5H2O/h1H;5*1H2.
What are the key properties of pentahydrate;hydrochloride?
pentahydrate;hydrochloride has a molecular weight of 126.54 g/mol, XLogP of -3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentahydrate;hydrochloride is sourced from PubChem (CID 22282743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).