N,N'-bis[(Z)-(3-bromophenyl)methylideneamino]hexanediamide

Formula:C20H20N4O2Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(3-bromophenyl)methylideneamino]hexanediamide is not a drug-like molecule.

MolNameN,N'-bis[(Z)-(3-bromophenyl)methylideneamino]hexanediamide
MolecularFormulaC20H20N4O2Br2
SmilesO=C(CCCCC(N/N=C\c1cccc(Br)c1)=O)N/N=C\c1cc(Br)ccc1
InChIInChI=1S/C20H20Br2N4O2/c21-17-7-3-5-15(11-17)13-23-25-19(27)9-1-2-10-20(28)26-24-14-16-6-4-8-18(22)12-16/h3-8,11-14H,1-2,9-10H2,(H,25,27)(H,26,28)
InChIKOOKBKKVCGHXLON-UHFFFAOYSA-N
TotalMolweight508.213
Molweight508.213
MonoisotopicMass505.995298
CLogP5.8064
CLogS-6.866
H Acceptors6
H Donors2
TotalSurfaceArea333.26
Relative PSA0.21611
PolarSurfaceArea82.92
Druglikeness-5.9195
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.71429
Fragments1
Non HAtoms28
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond9
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms14
StereoCon

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