5-bromo-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide

Formula:C14H9N2O2BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 5-bromo-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide is a drug-like molecule.

MolName5-bromo-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
MolecularFormulaC14H9N2O2BrCl2
SmilesOc(ccc(Br)c1)c1C(N/N=C\c(c(Cl)ccc1)c1Cl)=O
InChIInChI=1S/C14H9BrCl2N2O2/c15-8-4-5-13(20)9(6-8)14(21)19-18-7-10-11(16)2-1-3-12(10)17/h1-7,20H,(H,19,21)
InChIKTXPFAUXWWMUFOY-UHFFFAOYSA-N
TotalMolweight388.047
Molweight388.047
MonoisotopicMass385.922443
CLogP4.7931
CLogS-5.731
H Acceptors4
H Donors2
TotalSurfaceArea242.81
Relative PSA0.20226
PolarSurfaceArea61.69
Druglikeness2.6398
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.57143
Fragments1
Non HAtoms21
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms3
StereoCon

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