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

Formula:C19H17N4O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one
MolecularFormula	C19H17N4O5Cl
Smiles	[O-][N+](c1cccc(/C=C/C(N(CC2)CCN2c(ccc([N+]([O-])=O)c2)c2Cl)=O)c1)=O
InChI	InChI=1S/C19H17ClN4O5/c20-17-13-16(24(28)29)5-6-18(17)21-8-10-22(11-9-21)19(25)7-4-14-2-1-3-15(12-14)23(26)27/h1-7,12-13H,8-11H2
InChIK	LAMYFMJPPQILNK-UHFFFAOYSA-N
TotalMolweight	416.82
Molweight	416.82
MonoisotopicMass	416.088748
CLogP	2.0305
CLogS	-4.699
H Acceptors	9
TotalSurfaceArea	302.17
Relative PSA	0.26799
PolarSurfaceArea	115.19
Druglikeness	0.37566
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	2
StereoCon

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