N,N'-bis[(Z)-(5-bromofuran-2-yl)methylideneamino]propanediamide

Formula:C13H10N4O4Br2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N,N'-bis[(Z)-(5-bromofuran-2-yl)methylideneamino]propanediamide is a drug-like molecule.

MolName	N,N'-bis[(Z)-(5-bromofuran-2-yl)methylideneamino]propanediamide
MolecularFormula	C13H10N4O4Br2
Smiles	O=C(CC(N/N=C\c(o1)ccc1Br)=O)N/N=C\c(o1)ccc1Br
InChI	InChI=1S/C13H10Br2N4O4/c14-10-3-1-8(22-10)6-16-18-12(20)5-13(21)19-17-7-9-2-4-11(15)23-9/h1-4,6-7H,5H2,(H,18,20)(H,19,21)
InChIK	NHEMZLINWJTIIM-UHFFFAOYSA-N
TotalMolweight	446.054
Molweight	446.054
MonoisotopicMass	443.906878
CLogP	3.0154
CLogS	-4.946
H Acceptors	8
H Donors	2
TotalSurfaceArea	271.36
Relative PSA	0.3694
PolarSurfaceArea	109.2
Druglikeness	0.29472
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.73913
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
Symmetricatoms	11
StereoCon

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