2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

Formula:C22H28N4O Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C22H28N4O
Smiles	O=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C22H26N4O/c27-22(24-23-13-7-12-20-8-3-1-4-9-20)19-26-16-14-25(15-17-26)18-21-10-5-2-6-11-21/h1-13H,14-19H2,(H,24,27)/p+2
InChIK	UECDLYDMSLAUBB-UHFFFAOYSA-P
TotalMolweight	364.491
Molweight	364.491
MonoisotopicMass	364.226311
CLogP	-1.6533
CLogS	-2.858
H Acceptors	5
H Donors	3
TotalSurfaceArea	331.23
Relative PSA	0.21493
PolarSurfaceArea	50.34
Druglikeness	4.1005
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.74074
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	6
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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