[4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
Formula:C29H19N3O6Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate |
| MolecularFormula | C29H19N3O6Cl2 |
| Smiles | O=C(C(N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O)=O)Nc1ccccc1 |
| InChI | InChI=1S/C29H19Cl2N3O6/c30-21-11-6-18(7-12-21)28(37)39-24-15-10-20(25(16-24)40-29(38)19-8-13-22(31)14-9-19)17-32-34-27(36)26(35)33-23-4-2-1-3-5-23/h1-17H,(H,33,35)(H,34,36) |
| InChIK | YXLDWSUJXPLRRZ-UHFFFAOYSA-N |
| TotalMolweight | 576.391 |
| Molweight | 576.391 |
| MonoisotopicMass | 575.065091 |
| CLogP | 6.2169 |
| CLogS | -7.937 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 422.06 |
| Relative PSA | 0.25255 |
| PolarSurfaceArea | 123.16 |
| Druglikeness | 3.4163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.525 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate | 2 - [4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
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