N,N'-bis[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]pentanediamide

Formula:C21H18N4O6Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]pentanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]pentanediamide
MolecularFormula	C21H18N4O6Br2
Smiles	O=C(CCCC(N/N=C\c(cc1OCOc1c1)c1Br)=O)N/N=C\c(cc1OCOc1c1)c1Br
InChI	InChI=1S/C21H18Br2N4O6/c22-14-6-18-16(30-10-32-18)4-12(14)8-24-26-20(28)2-1-3-21(29)27-25-9-13-5-17-19(7-15(13)23)33-11-31-17/h4-9H,1-3,10-11H2,(H,26,28)(H,27,29)
InChIK	AUIFTLRPTAEPGR-UHFFFAOYSA-N
TotalMolweight	582.204
Molweight	582.204
MonoisotopicMass	579.959308
CLogP	5.5748
CLogS	-8.018
H Acceptors	10
H Donors	2
TotalSurfaceArea	360.02
Relative PSA	0.31115
PolarSurfaceArea	119.84
Druglikeness	-3.1869
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	16
StereoCon

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