(E)-3-(furan-2-yl)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one

Formula:C22H26N4O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C22H26N4O4
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c1ccco1)=O)c1)c1N1CCCCC1)=O
InChI	InChI=1S/C22H26N4O4/c27-22(9-7-19-5-4-16-30-19)25-14-12-23(13-15-25)18-6-8-20(26(28)29)21(17-18)24-10-2-1-3-11-24/h4-9,16-17H,1-3,10-15H2
InChIK	KHKQWHTWHYGFNL-UHFFFAOYSA-N
TotalMolweight	410.472
Molweight	410.472
MonoisotopicMass	410.195406
CLogP	2.3678
CLogS	-4.177
H Acceptors	8
TotalSurfaceArea	318.37
Relative PSA	0.21428
PolarSurfaceArea	85.75
Druglikeness	-1.7407
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	11
Symmetricatoms	4
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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