Chemical Properties of Quazepam M (oxo-)

InChI

InChI=1S/C17H11ClF4N2O/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2

InChI Key

YFSXBSRGIRSXAD-UHFFFAOYSA-N

Formula

C17H11ClF4N2O

SMILES

O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1CC(F)(F)F

Molecular Weight¹

370.73

Other Names

• 2-oxoquazepam

• 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
log10WS	-4.88		Relay (1.0) Calculated Property
logPoct/wat	4.225		Crippen Calculated Property
McVol	228.560	ml/mol	McGowan Calculated Property
Inp	[2255.00; 2270.00]
Inp	2255.00		NIST
Inp	2270.00		NIST
Inp	2255.00		NIST
Inp	2270.00		NIST
Tfus	389.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 Quazepam M (oxo-).

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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