acridine;dihydrate

C13H13NO2 — CID 172843020

IUPACacridine;dihydrate
SMILESO.O.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.2H2O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;;/h1-9H;2*1H2
InChIKeyXAZJHFNDBRWANZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.74
Rot. Bonds

About acridine;dihydrate

acridine;dihydrate (PubChem CID 172843020) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is acridine;dihydrate.

Molecular Properties

Compound Nameacridine;dihydrate
PubChem CID172843020
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Nameacridine;dihydrate
SMILESO.O.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.2H2O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;;/h1-9H;2*1H2
InChIKeyXAZJHFNDBRWANZ-UHFFFAOYSA-N
XLogP1.74
TPSA75.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.74
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;dihydrate?
The IUPAC name of acridine;dihydrate (CID 172843020) is acridine;dihydrate.
What is the SMILES notation for acridine;dihydrate?
The canonical SMILES for acridine;dihydrate is O.O.c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;dihydrate?
The InChIKey is XAZJHFNDBRWANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.2H2O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;;/h1-9H;2*1H2.
What are the key properties of acridine;dihydrate?
acridine;dihydrate has a molecular weight of 215.25 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;dihydrate is sourced from PubChem (CID 172843020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).