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1-[4-(Benzylideneamino)phenyl]-3-phenyl-2-propen-1-one

ChemSpider ID: 21120312
Molecular Formula: C₂₂H₁₇NO
Monoisotopic mass: 311.131011962891 Da
Systematic name

1-[4-(Benzylideneamino)phenyl]-3-phenyl-2-propen-1-one
SMILES and InChIs

SMILES:

O=C(c2ccc(N=Cc1ccccc1)cc2)C=Cc3ccccc3 Copied

Std. InChI:

InChI=1S/C22H17NO/c24-22(16-11-18-7-3-1-4-8-18)20-12-14-21(15-13-20)23-17-19-9-5-2-6-10-19/h1-17H Copied

Std. InChIKey:

AWZUBXVXZYOHJJ-UHFFFAOYSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	5.065	# of Rule of 5 Violations:	1
ACD/LogD (pH 5.5):	5.06	ACD/LogD (pH 7.4):	5.07
ACD/BCF (pH 5.5):	4157.92	ACD/BCF (pH 7.4):	4159.51
ACD/KOC (pH 5.5):	13549.93	ACD/KOC (pH 7.4):	13555.11
#H bond acceptors:	2	#H bond donors:	0
#Freely Rotating Bonds:	5	Polar Surface Area:	29.43 Å²
Index of Refraction:	1.575	Molar Refractivity:	100.197 cm³
Molar Volume:	303.141 cm³	Polarizability:	39.721 10^-24cm³
Surface Tension:	40.515998840332 dyne/cm	Density:	1.027 g/cm³
Flash Point:	209.072 °C	Enthalpy of Vaporization:	78.035 kJ/mol
Boiling Point:	509.743 °C at 760 mmHg	Vapour Pressure:	0 mmHg at 25°C

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