4-bromo-N-[(E)-[2-[2-(4-bromobenzoyl)hydrazinyl]-1-phenylethylidene]amino]benzamide

Formula:C22H18N4O2Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(E)-[2-[2-(4-bromobenzoyl)hydrazinyl]-1-phenylethylidene]amino]benzamide is not a drug-like molecule.

MolName4-bromo-N-[(E)-[2-[2-(4-bromobenzoyl)hydrazinyl]-1-phenylethylidene]amino]benzamide
MolecularFormulaC22H18N4O2Br2
SmilesO=C(c(cc1)ccc1Br)NNC/C(/c1ccccc1)=N/NC(c(cc1)ccc1Br)=O
InChIInChI=1S/C22H18Br2N4O2/c23-18-10-6-16(7-11-18)21(29)27-25-14-20(15-4-2-1-3-5-15)26-28-22(30)17-8-12-19(24)13-9-17/h1-13,25H,14H2,(H,27,29)(H,28,30)
InChIKOZWMESHEPCJJRE-UHFFFAOYSA-N
TotalMolweight530.219
Molweight530.219
MonoisotopicMass527.979648
CLogP4.1361
CLogS-6.923
H Acceptors6
H Donors3
TotalSurfaceArea336.65
Relative PSA0.21378
PolarSurfaceArea82.59
Druglikeness2.5459
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.6
Fragments1
Non HAtoms30
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms6
StereoCon

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