5-bromo-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxybenzamide

Formula:C15H10N2O4Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-bromo-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxybenzamide is a drug-like molecule.

MolName5-bromo-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxybenzamide
MolecularFormulaC15H10N2O4Br2
SmilesOc(ccc(Br)c1)c1C(N/N=C\c(cc1OCOc1c1)c1Br)=O
InChIInChI=1S/C15H10Br2N2O4/c16-9-1-2-12(20)10(4-9)15(21)19-18-6-8-3-13-14(5-11(8)17)23-7-22-13/h1-6,20H,7H2,(H,19,21)
InChIKBLCGUCZZMXURAQ-UHFFFAOYSA-N
TotalMolweight442.062
Molweight442.062
MonoisotopicMass439.90073
CLogP4.4177
CLogS-5.804
H Acceptors6
H Donors2
TotalSurfaceArea250.86
Relative PSA0.27549
PolarSurfaceArea80.15
Druglikeness2.4225
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.56522
Fragments1
Non HAtoms23
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond3
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
StereoCon

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