4-[(1E,3E)-4-[5-(4-bromophenyl)-1,3-thiazol-2-yl]buta-1,3-dienyl]morpholine

Formula:C17H17N2OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(1E,3E)-4-[5-(4-bromophenyl)-1,3-thiazol-2-yl]buta-1,3-dienyl]morpholine is a drug-like molecule.

MolName	4-[(1E,3E)-4-[5-(4-bromophenyl)-1,3-thiazol-2-yl]buta-1,3-dienyl]morpholine
MolecularFormula	C17H17N2OBrS
Smiles	Brc(cc1)ccc1-c1cnc(/C=C/C=C/N2CCOCC2)s1
InChI	InChI=1S/C17H17BrN2OS/c18-15-6-4-14(5-7-15)16-13-19-17(22-16)3-1-2-8-20-9-11-21-12-10-20/h1-8,13H,9-12H2
InChIK	AAUSROXTDLSWKM-UHFFFAOYSA-N
TotalMolweight	377.305
Molweight	377.305
MonoisotopicMass	376.024494
CLogP	3.6743
CLogS	-4.179
H Acceptors	3
TotalSurfaceArea	261.19
Relative PSA	0.17183
PolarSurfaceArea	53.6
Druglikeness	0.77221
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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