[1-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Formula:C26H17N3O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate |
| MolecularFormula | C26H17N3O4Cl2 |
| Smiles | O=C(C(N/N=C\c(c1ccccc1cc1)c1OC(c(ccc(Cl)c1)c1Cl)=O)=O)Nc1ccccc1 |
| InChI | InChI=1S/C26H17Cl2N3O4/c27-17-11-12-20(22(28)14-17)26(34)35-23-13-10-16-6-4-5-9-19(16)21(23)15-29-31-25(33)24(32)30-18-7-2-1-3-8-18/h1-15H,(H,30,32)(H,31,33) |
| InChIK | BLTPYVRFFVEZFC-UHFFFAOYSA-N |
| TotalMolweight | 506.344 |
| Molweight | 506.344 |
| MonoisotopicMass | 505.059611 |
| CLogP | 5.9808 |
| CLogS | -8.073 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 369.15 |
| Relative PSA | 0.22633 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.4163 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [1-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate | 2 - [1-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
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