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

Formula:C22H22N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is a drug-like molecule.

MolName	N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
MolecularFormula	C22H22N2O3
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\C=C\c1ccccc1)N1CCOCC1
InChI	InChI=1S/C22H22N2O3/c25-21(19-11-5-2-6-12-19)23-20(22(26)24-14-16-27-17-15-24)13-7-10-18-8-3-1-4-9-18/h1-13H,14-17H2,(H,23,25)
InChIK	UUIGXPLOPDTINR-UHFFFAOYSA-N
TotalMolweight	362.428
Molweight	362.428
MonoisotopicMass	362.163043
CLogP	3.6072
CLogS	-3.383
H Acceptors	5
H Donors	1
TotalSurfaceArea	293.03
Relative PSA	0.17435
PolarSurfaceArea	58.64
Druglikeness	4.9871
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
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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