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

Formula:C23H24N4O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(2,4-dichlorophenyl)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C23H24N4O4Cl2
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c(ccc(Cl)c1)c1Cl)=O)c1)c1N1CCOCC1)=O
InChI	InChI=1S/C23H24Cl2N4O4/c24-18-3-1-17(20(25)15-18)2-6-23(30)28-9-7-26(8-10-28)19-4-5-21(29(31)32)22(16-19)27-11-13-33-14-12-27/h1-6,15-16H,7-14H2
InChIK	AVAXSYOUVANEQR-UHFFFAOYSA-N
TotalMolweight	491.374
Molweight	491.374
MonoisotopicMass	490.11746
CLogP	3.2271
CLogS	-5.078
H Acceptors	8
TotalSurfaceArea	355.76
Relative PSA	0.18021
PolarSurfaceArea	81.84
Druglikeness	-0.64759
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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