2-[(Z)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazinylidene]methyl]-4,6-dibromophenolate

Formula:C20H22N4O2Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazinylidene]methyl]-4,6-dibromophenolate is not a drug-like molecule.

MolName	2-[(Z)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazinylidene]methyl]-4,6-dibromophenolate
MolecularFormula	C20H22N4O2Br2
Smiles	[O-]c(c(/C=N\NC(C[NH+]1CCN(Cc2ccccc2)CC1)=O)cc(Br)c1)c1Br
InChI	InChI=1S/C20H22Br2N4O2/c21-17-10-16(20(28)18(22)11-17)12-23-24-19(27)14-26-8-6-25(7-9-26)13-15-4-2-1-3-5-15/h1-5,10-12,28H,6-9,13-14H2,(H,24,27)
InChIK	JPEVWNIDCQJWEN-UHFFFAOYSA-N
TotalMolweight	510.229
Molweight	510.229
MonoisotopicMass	508.010948
CLogP	-0.0352
CLogS	-3.938
H Acceptors	6
H Donors	2
TotalSurfaceArea	335.48
Relative PSA	0.21292
PolarSurfaceArea	72.2
Druglikeness	4.0408
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
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
StereoCon

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1 - 2-[(Z)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazinylidene]methyl]-4,6-dibromophenolate | 2 - 2-[(Z)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazinylidene]methyl]-4,6-dibromophenolate

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