(E)-1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one

Formula:C26H25N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
MolecularFormula	C26H25N4O3Cl
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c(cc1)ccc1Cl)=O)c1)c1NCc1ccccc1)=O
InChI	InChI=1S/C26H25ClN4O3/c27-22-9-6-20(7-10-22)8-13-26(32)30-16-14-29(15-17-30)23-11-12-25(31(33)34)24(18-23)28-19-21-4-2-1-3-5-21/h1-13,18,28H,14-17,19H2
InChIK	UGPXILXENGYPLR-UHFFFAOYSA-N
TotalMolweight	476.963
Molweight	476.963
MonoisotopicMass	476.161518
CLogP	4.0172
CLogS	-5.622
H Acceptors	7
H Donors	1
TotalSurfaceArea	363.48
Relative PSA	0.17063
PolarSurfaceArea	81.4
Druglikeness	0.5533
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	6
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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