1-(4-nitrophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine

Formula:C19H20N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-nitrophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine is a drug-like molecule.

MolName	1-(4-nitrophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine
MolecularFormula	C19H20N4O4
Smiles	[O-][N+](c(cc1)ccc1N1CCN(C/C=C/c(cccc2)c2[N+]([O-])=O)CC1)=O
InChI	InChI=1S/C19H20N4O4/c24-22(25)18-9-7-17(8-10-18)21-14-12-20(13-15-21)11-3-5-16-4-1-2-6-19(16)23(26)27/h1-10H,11-15H2
InChIK	ZMZNPVCBMMHXQY-UHFFFAOYSA-N
TotalMolweight	368.392
Molweight	368.392
MonoisotopicMass	368.148456
CLogP	0.8476
CLogS	-3.981
H Acceptors	8
TotalSurfaceArea	282.76
Relative PSA	0.24027
PolarSurfaceArea	98.12
Druglikeness	0.83853
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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