(E)-3-(3-bromo-4-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one

Formula:C19H17N2O3BrClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-bromo-4-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3-bromo-4-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one
MolecularFormula	C19H17N2O3BrClF
Smiles	O=C(/C=C/c(cc1)cc(Br)c1F)N1CC(COc(cccn2)c2Cl)OCC1
InChI	InChI=1S/C19H17BrClFN2O3/c20-15-10-13(3-5-16(15)22)4-6-18(25)24-8-9-26-14(11-24)12-27-17-2-1-7-23-19(17)21/h1-7,10,14H,8-9,11-12H2/t14-/m1/s1
InChIK	NJUSGOFOODBSQN-CQSZACIVSA-N
TotalMolweight	455.71
Molweight	455.71
MonoisotopicMass	454.009509
CLogP	3.535
CLogS	-3.876
H Acceptors	5
TotalSurfaceArea	300.77
Relative PSA	0.15813
PolarSurfaceArea	51.66
Druglikeness	-0.069793
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	1
Aromatic Nitrogens	1
StereoCon	racemate

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1 - (E)-3-(3-bromo-4-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-(3-bromo-4-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one

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