[2-(4-bromobenzoyl)oxy-4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate

Formula:C29H19N2O6Br3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(4-bromobenzoyl)oxy-4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.

MolName[2-(4-bromobenzoyl)oxy-4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
MolecularFormulaC29H19N2O6Br3
SmilesO=C(COc1cccc(Br)c1)N/N=C\c(cc1)cc(OC(c(cc2)ccc2Br)=O)c1OC(c(cc1)ccc1Br)=O
InChIInChI=1S/C29H19Br3N2O6/c30-21-9-5-19(6-10-21)28(36)39-25-13-4-18(14-26(25)40-29(37)20-7-11-22(31)12-8-20)16-33-34-27(35)17-38-24-3-1-2-23(32)15-24/h1-16H,17H2,(H,34,35)
InChIKZIOZPVXJKZTVOT-UHFFFAOYSA-N
TotalMolweight731.19
Molweight731.19
MonoisotopicMass727.879321
CLogP7.8131
CLogS-8.943
H Acceptors8
H Donors1
TotalSurfaceArea441.66
Relative PSA0.20851
PolarSurfaceArea103.29
Druglikeness2.1789
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.525
Fragments1
Non HAtoms40
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond11
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms4
Symmetricatoms4
StereoCon

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