(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one

Formula:C22H20N4O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one
MolecularFormula	C22H20N4O3ClF
Smiles	O=C(/C=C/c(c(F)ccc1)c1Cl)N1CC(COc(cc2)ccc2-n2ncnc2)OCC1
InChI	InChI=1S/C22H20ClFN4O3/c23-20-2-1-3-21(24)19(20)8-9-22(29)27-10-11-30-18(12-27)13-31-17-6-4-16(5-7-17)28-15-25-14-26-28/h1-9,14-15,18H,10-13H2/t18-/m1/s1
InChIK	GFAPBWAISFTQIK-GOSISDBHSA-N
TotalMolweight	442.877
Molweight	442.877
MonoisotopicMass	442.120796
CLogP	2.7584
CLogS	-4.186
H Acceptors	7
TotalSurfaceArea	329.86
Relative PSA	0.19827
PolarSurfaceArea	69.48
Druglikeness	3.4664
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon	racemate

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1 - (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one

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