[4-bromo-2-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Molecular Formula : C22H14N3O4Br2Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[4-bromo-2-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
MolName : [4-bromo-2-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
MolecularFormula : C22H14N3O4Br2Cl |
Smiles : O=C(C(N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O)=O)Nc(cc1)ccc1Br |
InChI : InChI=1S/C22H14Br2ClN3O4/c23-15-3-8-18(9-4-15)27-20(29)21(30)28-26-12-14-11-16(24)5-10-19(14)32-22(31)13-1-6-17(25)7-2-13/h1-12H,(H,27,29)(H,28,30) |
InChIK : NQGBGMISUDACMY-UHFFFAOYSA-N |
TotalMolweight : 579.631 |
Molweight : 579.631 |
MonoisotopicMass : 576.903956 |
CLogP : 5.6308 |
CLogS : -7.399 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 356.39 |
Relative PSA : 0.23443 |
PolarSurfaceArea : 96.86 |
Druglikeness : 1.6263 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
Shape Index : 0.625 |
Fragments : 1 |
Non HAtoms : 32 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 7 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 1 |
Symmetricatoms : 4 |
Amides : 1 |
StereoCon : |
1 - [4-bromo-2-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
2 - [4-bromo-2-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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