[4-bromo-2-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate

Formula:C23H17N3O4Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName[4-bromo-2-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormulaC23H17N3O4Br2
SmilesO=C(CNC(c1cc(Br)ccc1)=O)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O
InChIInChI=1S/C23H17Br2N3O4/c24-18-8-4-7-16(11-18)22(30)26-14-21(29)28-27-13-17-12-19(25)9-10-20(17)32-23(31)15-5-2-1-3-6-15/h1-13H,14H2,(H,26,30)(H,28,29)
InChIKYFCCFQRLJURSCM-UHFFFAOYSA-N
TotalMolweight559.213
Molweight559.213
MonoisotopicMass556.958579
CLogP5.1662
CLogS-6.626
H Acceptors7
H Donors2
TotalSurfaceArea354.73
Relative PSA0.23553
PolarSurfaceArea96.86
Druglikeness3.2631
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.59375
Fragments1
Non HAtoms32
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms2
Amides1
StereoCon

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