acridine;hydrochloride

C13H10ClN — CID 2849400

IUPACacridine;hydrochloride
SMILESCl.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.ClH/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;1H
InChIKeyXUESTGHCVFYOLL-UHFFFAOYSA-N
MW215.68 g/mol
LogP3.81
Rot. Bonds

About acridine;hydrochloride

acridine;hydrochloride (PubChem CID 2849400) has the molecular formula C13H10ClN and a molecular weight of 215.68 g/mol. Its IUPAC name is acridine;hydrochloride.

Molecular Properties

Compound Nameacridine;hydrochloride
PubChem CID2849400
Molecular FormulaC13H10ClN
Molecular Weight215.68 g/mol
Exact Mass215.05
IUPAC Nameacridine;hydrochloride
SMILESCl.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.ClH/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;1H
InChIKeyXUESTGHCVFYOLL-UHFFFAOYSA-N
XLogP3.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acridine;hydrochloride?
The IUPAC name of acridine;hydrochloride (CID 2849400) is acridine;hydrochloride.
What is the SMILES notation for acridine;hydrochloride?
The canonical SMILES for acridine;hydrochloride is Cl.c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;hydrochloride?
The InChIKey is XUESTGHCVFYOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.ClH/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;1H.
What are the key properties of acridine;hydrochloride?
acridine;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;hydrochloride is sourced from PubChem (CID 2849400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).