(E)-4-[2-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid

Formula:C15H16N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[2-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[2-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid
MolecularFormula	C15H16N2O5
Smiles	OC(/C=C/C(Nc(cccc1)c1C(N1CCOCC1)=O)=O)=O
InChI	InChI=1S/C15H16N2O5/c18-13(5-6-14(19)20)16-12-4-2-1-3-11(12)15(21)17-7-9-22-10-8-17/h1-6H,7-10H2,(H,16,18)(H,19,20)
InChIK	KSSVCKCLSNBZLR-UHFFFAOYSA-N
TotalMolweight	304.301
Molweight	304.301
MonoisotopicMass	304.105923
CLogP	0.4179
CLogS	-1.455
H Acceptors	7
H Donors	2
TotalSurfaceArea	232.66
Relative PSA	0.33194
PolarSurfaceArea	95.94
Druglikeness	3.0849
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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