(E)-3-(2-cyanophenyl)-N-(2-hydroxyethyl)-N-(2-hydroxy-2-phenylethyl)prop-2-enamide

Formula:C20H20N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-cyanophenyl)-N-(2-hydroxyethyl)-N-(2-hydroxy-2-phenylethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2-cyanophenyl)-N-(2-hydroxyethyl)-N-(2-hydroxy-2-phenylethyl)prop-2-enamide
MolecularFormula	C20H20N2O3
Smiles	N#Cc1c(/C=C/C(N(CCO)CC(c2ccccc2)O)=O)cccc1
InChI	InChI=1S/C20H20N2O3/c21-14-18-9-5-4-6-16(18)10-11-20(25)22(12-13-23)15-19(24)17-7-2-1-3-8-17/h1-11,19,23-24H,12-13,15H2/t19-/m0/s1
InChIK	AVJVXGILPDBDGV-IBGZPJMESA-N
TotalMolweight	336.39
Molweight	336.39
MonoisotopicMass	336.147393
CLogP	1.7874
CLogS	-3.082
H Acceptors	5
H Donors	2
TotalSurfaceArea	275.76
Relative PSA	0.20434
PolarSurfaceArea	84.56
Druglikeness	-0.78167
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	1
StereoCon	racemate

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