[2-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-4-bromophenyl] benzoate
Formula:C22H16N3O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-4-bromophenyl] benzoate is a drug-like molecule.
| MolName | [2-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-4-bromophenyl] benzoate |
| MolecularFormula | C22H16N3O4Br |
| Smiles | O=C(C(N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O)=O)Nc1ccccc1 |
| InChI | InChI=1S/C22H16BrN3O4/c23-17-11-12-19(30-22(29)15-7-3-1-4-8-15)16(13-17)14-24-26-21(28)20(27)25-18-9-5-2-6-10-18/h1-14H,(H,25,27)(H,26,28) |
| InChIK | QJAMVSLWRONPNX-UHFFFAOYSA-N |
| TotalMolweight | 466.29 |
| Molweight | 466.29 |
| MonoisotopicMass | 465.032418 |
| CLogP | 4.2996 |
| CLogS | -5.829 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 322.34 |
| Relative PSA | 0.2592 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 1.585 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [2-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-4-bromophenyl] benzoate | 2 - [2-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-4-bromophenyl] benzoate
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