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

Formula:C22H23N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(4-chlorophenyl)-1-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-1-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C22H23N4O3Cl
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c(cc1)ccc1Cl)=O)c1)c1NC1CC1)=O
InChI	InChI=1S/C22H23ClN4O3/c23-17-4-1-16(2-5-17)3-10-22(28)26-13-11-25(12-14-26)19-8-9-21(27(29)30)20(15-19)24-18-6-7-18/h1-5,8-10,15,18,24H,6-7,11-14H2
InChIK	LNBLIHIMDALXPT-UHFFFAOYSA-N
TotalMolweight	426.903
Molweight	426.903
MonoisotopicMass	426.145868
CLogP	3.1288
CLogS	-5.063
H Acceptors	7
H Donors	1
TotalSurfaceArea	316.48
Relative PSA	0.19597
PolarSurfaceArea	81.4
Druglikeness	0.83414
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	5
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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