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

Formula:C19H20N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(3-chlorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine is a drug-like molecule.

MolName	1-(3-chlorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine
MolecularFormula	C19H20N3O2Cl
Smiles	[O-][N+](c1c(/C=C/CN(CC2)CCN2c2cccc(Cl)c2)cccc1)=O
InChI	InChI=1S/C19H20ClN3O2/c20-17-7-3-8-18(15-17)22-13-11-21(12-14-22)10-4-6-16-5-1-2-9-19(16)23(24)25/h1-9,15H,10-14H2
InChIK	FRLKKQDWCIETBR-UHFFFAOYSA-N
TotalMolweight	357.84
Molweight	357.84
MonoisotopicMass	357.124404
CLogP	2.3752
CLogS	-4.257
H Acceptors	5
TotalSurfaceArea	274.51
Relative PSA	0.13668
PolarSurfaceArea	52.3
Druglikeness	0.8325
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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