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[4-bromo-2-[(Z)-[(5-bromo-2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate

Formula:C28H20N2O4Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[(5-bromo-2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
MolName[4-bromo-2-[(Z)-[(5-bromo-2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
MolecularFormulaC28H20N2O4Br2
SmilesO=C(c(cc(cc1)Br)c1OCc1ccccc1)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O
InChIInChI=1S/C28H20Br2N2O4/c29-22-11-13-25(36-28(34)20-9-5-2-6-10-20)21(15-22)17-31-32-27(33)24-16-23(30)12-14-26(24)35-18-19-7-3-1-4-8-19/h1-17H,18H2,(H,32,33)
InChIKCPHTYBNBKDJBEX-UHFFFAOYSA-N
TotalMolweight608.285
Molweight608.285
MonoisotopicMass605.97898
CLogP7.4306
CLogS-8.2
H Acceptors6
H Donors1
TotalSurfaceArea395.28
Relative PSA0.17469
PolarSurfaceArea76.99
Druglikeness1.9957
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.55556
Fragments1
Non HAtoms36
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms3
Symmetricatoms4
StereoCon

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