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

Formula:C22H22N4O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-1-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C22H22N4O3Cl2
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c(ccc(Cl)c1)c1Cl)=O)c1)c1NC1CC1)=O
InChI	InChI=1S/C22H22Cl2N4O3/c23-16-3-1-15(19(24)13-16)2-8-22(29)27-11-9-26(10-12-27)18-6-7-21(28(30)31)20(14-18)25-17-4-5-17/h1-3,6-8,13-14,17,25H,4-5,9-12H2
InChIK	CSFWLTZNOMTVNM-UHFFFAOYSA-N
TotalMolweight	461.348
Molweight	461.348
MonoisotopicMass	460.106895
CLogP	3.7348
CLogS	-5.799
H Acceptors	7
H Donors	1
TotalSurfaceArea	331.9
Relative PSA	0.18686
PolarSurfaceArea	81.4
Druglikeness	0.83414
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	3
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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

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