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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6789		Relay (1.0) Calculated Property
ΔfG°	39.77	kJ/mol	Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas	-173.85	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	92.67	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
Pc	3348.58	kPa	Relay (1.0-beta) Calculated Property ⚠️
Inp	[1991.00; 1991.00]
Inp	1991.00		NIST
Inp	1991.00		NIST
Tboil	613.19	K	Relay (1.0) Calculated Property
Tc	908.51	K	Relay (1.0) Calculated Property
Tfus	363.31	K	Relay (1.0) Calculated Property
Vc	0.565	m3/kmol	Relay (1.0) Calculated Property

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

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