[2-(4-bromobenzoyl)oxy-4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate

Formula:C28H18N2O6Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(4-bromobenzoyl)oxy-4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.

MolName[2-(4-bromobenzoyl)oxy-4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
MolecularFormulaC28H18N2O6Br2
SmilesOc(cccc1)c1C(N/N=C\c(cc1)cc(OC(c(cc2)ccc2Br)=O)c1OC(c(cc1)ccc1Br)=O)=O
InChIInChI=1S/C28H18Br2N2O6/c29-20-10-6-18(7-11-20)27(35)37-24-14-5-17(16-31-32-26(34)22-3-1-2-4-23(22)33)15-25(24)38-28(36)19-8-12-21(30)13-9-19/h1-16,33H,(H,32,34)
InChIKVIOSWQLGWDXHNU-UHFFFAOYSA-N
TotalMolweight638.267
Molweight638.267
MonoisotopicMass635.95316
CLogP7.1673
CLogS-8.033
H Acceptors8
H Donors2
TotalSurfaceArea405.62
Relative PSA0.23468
PolarSurfaceArea114.29
Druglikeness2.2078
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms38
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms3
Symmetricatoms4
StereoCon

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