Chemical Properties of Nitroxoline, acetate

InChI

InChI=1S/C11H8N2O4/c1-7(14)17-10-5-4-9(13(15)16)8-3-2-6-12-11(8)10/h2-6H,1H3

InChI Key

WVWNMQHUCFCDDM-UHFFFAOYSA-N

Formula

C11H8N2O4

SMILES

CC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12

Molecular Weight¹

232.19

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-173.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-3.03		Relay (1.0) Calculated Property
logPoct/wat	2.068		Crippen Calculated Property
McVol	157.470	ml/mol	McGowan Calculated Property
Inp	[1991.00; 1991.00]
Inp	1991.00		NIST
Inp	1991.00		NIST
Tfus	359.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Nitroxoline, acetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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