[4-[(Z)-[(2-amino-3,5-dibromobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C21H14N3O3Br2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-amino-3,5-dibromobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-amino-3,5-dibromobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C21H14N3O3Br2Cl |
| Smiles | Nc(c(C(N/N=C\c(cc1)ccc1OC(c(cc1)ccc1Cl)=O)=O)cc(Br)c1)c1Br |
| InChI | InChI=1S/C21H14Br2ClN3O3/c22-14-9-17(19(25)18(23)10-14)20(28)27-26-11-12-1-7-16(8-2-12)30-21(29)13-3-5-15(24)6-4-13/h1-11H,25H2,(H,27,28) |
| InChIK | KVPLDCJHUILXGB-UHFFFAOYSA-N |
| TotalMolweight | 551.621 |
| Molweight | 551.621 |
| MonoisotopicMass | 548.909041 |
| CLogP | 6.0112 |
| CLogS | -7.671 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 335.7 |
| Relative PSA | 0.22139 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 2.2292 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - [4-[(Z)-[(2-amino-3,5-dibromobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [4-[(Z)-[(2-amino-3,5-dibromobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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