(E)-1-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one

Formula:C24H24N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C24H24N4O4
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c1ccccc1)=O)c1)c1NCc1ccco1)=O
InChI	InChI=1S/C24H24N4O4/c29-24(11-8-19-5-2-1-3-6-19)27-14-12-26(13-15-27)20-9-10-23(28(30)31)22(17-20)25-18-21-7-4-16-32-21/h1-11,16-17,25H,12-15,18H2
InChIK	PBQINSVAPFCUIF-UHFFFAOYSA-N
TotalMolweight	432.479
Molweight	432.479
MonoisotopicMass	432.179756
CLogP	2.5999
CLogS	-4.568
H Acceptors	8
H Donors	1
TotalSurfaceArea	337.75
Relative PSA	0.2254
PolarSurfaceArea	94.54
Druglikeness	0.30239
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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