(E)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobut-2-enoate

Formula:C13H13N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobut-2-enoate
MolecularFormula	C13H13N2O5
Smiles	[O-]C(/C=C/C(N(CC1)CCN1C(c1ccco1)=O)=O)=O
InChI	InChI=1S/C13H14N2O5/c16-11(3-4-12(17)18)14-5-7-15(8-6-14)13(19)10-2-1-9-20-10/h1-4,9H,5-8H2,(H,17,18)/p-1
InChIK	NRFIYNXBQDCANE-UHFFFAOYSA-M
TotalMolweight	277.255
Molweight	277.255
MonoisotopicMass	277.082448
CLogP	-2.007
CLogS	-0.579
H Acceptors	7
TotalSurfaceArea	212.37
Relative PSA	0.35132
PolarSurfaceArea	93.89
Druglikeness	5.4854
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	5
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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