4-[4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-2-nitrophenyl]morpholine

Formula:C21H18N3O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-2-nitrophenyl]morpholine is a drug-like molecule.

MolName	4-[4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-2-nitrophenyl]morpholine
MolecularFormula	C21H18N3O3FS
Smiles	[O-][N+](c(cc(/C=C/c1nc(-c(cc2)ccc2F)cs1)cc1)c1N1CCOCC1)=O
InChI	InChI=1S/C21H18FN3O3S/c22-17-5-3-16(4-6-17)18-14-29-21(23-18)8-2-15-1-7-19(20(13-15)25(26)27)24-9-11-28-12-10-24/h1-8,13-14H,9-12H2
InChIK	POIZEFGWWHRJEZ-UHFFFAOYSA-N
TotalMolweight	411.456
Molweight	411.456
MonoisotopicMass	411.10529
CLogP	3.2951
CLogS	-5.437
H Acceptors	6
TotalSurfaceArea	305.84
Relative PSA	0.24621
PolarSurfaceArea	99.42
Druglikeness	-2.8783
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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