[4-bromo-2-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Molecular Formula : C22H14N3O4BrCl2 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |[4-bromo-2-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
MolName : [4-bromo-2-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
MolecularFormula : C22H14N3O4BrCl2 |
Smiles : O=C(C(N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O)=O)Nc(cc1)ccc1Cl |
InChI : InChI=1S/C22H14BrCl2N3O4/c23-15-3-10-19(32-22(31)13-1-4-16(24)5-2-13)14(11-15)12-26-28-21(30)20(29)27-18-8-6-17(25)7-9-18/h1-12H,(H,27,29)(H,28,30) |
InChIK : YMERKZPGNMQMBT-UHFFFAOYSA-N |
TotalMolweight : 535.18 |
Molweight : 535.18 |
MonoisotopicMass : 532.954472 |
CLogP : 5.5116 |
CLogS : -7.301 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 353.18 |
Relative PSA : 0.23656 |
PolarSurfaceArea : 96.86 |
Druglikeness : 1.6263 |
Mutagenic : high |
Tumorigenic : none |
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-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
2 - [4-bromo-2-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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