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

Formula:C20H25N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-benzyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-benzyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1,4-diium
MolecularFormula	C20H25N3O2
Smiles	[O-][N+](c1c(/C=C/C[NH+]2CC[NH+](Cc3ccccc3)CC2)cccc1)=O
InChI	InChI=1S/C20H23N3O2/c24-23(25)20-11-5-4-9-19(20)10-6-12-21-13-15-22(16-14-21)17-18-7-2-1-3-8-18/h1-11H,12-17H2/p+2
InChIK	DIOKNSHDRPZBKK-UHFFFAOYSA-P
TotalMolweight	339.438
Molweight	339.438
MonoisotopicMass	339.194677
CLogP	1.0288
CLogS	-2.999
H Acceptors	5
H Donors	2
TotalSurfaceArea	300.93
Relative PSA	0.21799
PolarSurfaceArea	54.7
Druglikeness	-6.9544
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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