[4-[(Z)-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C25H19N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C25H19N3O4Cl2 |
| Smiles | O=C(C(C(CN1)c2ccccc2)C1=O)N/N=C\c(cc1)ccc1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C25H19Cl2N3O4/c26-17-8-11-19(21(27)12-17)25(33)34-18-9-6-15(7-10-18)13-29-30-24(32)22-20(14-28-23(22)31)16-4-2-1-3-5-16/h1-13,20,22H,14H2,(H,28,31)(H,30,32) |
| InChIK | PBPFSRLMQSBUEX-UHFFFAOYSA-N |
| TotalMolweight | 496.349 |
| Molweight | 496.349 |
| MonoisotopicMass | 495.075261 |
| CLogP | 5.2731 |
| CLogS | -6.739 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 359.81 |
| Relative PSA | 0.23221 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 6.6526 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | unknown chirality |
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1 - [4-[(Z)-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [4-[(Z)-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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