4-bromo-N-[(2E,4Z)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

Formula:C22H21N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(2E,4Z)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is a drug-like molecule.

MolName	4-bromo-N-[(2E,4Z)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
MolecularFormula	C22H21N2O3Br
Smiles	O=C(/C(/NC(c(cc1)ccc1Br)=O)=C\C=C/c1ccccc1)N1CCOCC1
InChI	InChI=1S/C22H21BrN2O3/c23-19-11-9-18(10-12-19)21(26)24-20(22(27)25-13-15-28-16-14-25)8-4-7-17-5-2-1-3-6-17/h1-12H,13-16H2,(H,24,26)
InChIK	DLUJQPACKBLSCO-UHFFFAOYSA-N
TotalMolweight	441.324
Molweight	441.324
MonoisotopicMass	440.073554
CLogP	4.3324
CLogS	-4.217
H Acceptors	5
H Donors	1
TotalSurfaceArea	311.66
Relative PSA	0.16393
PolarSurfaceArea	58.64
Druglikeness	3.1971
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	6
Amides	2
StereoCon

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