[1-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C26H18N3O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C26H18N3O4Cl |
| Smiles | O=C(C(N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O)=O)Nc1ccccc1 |
| InChI | InChI=1S/C26H18ClN3O4/c27-19-13-10-18(11-14-19)26(33)34-23-15-12-17-6-4-5-9-21(17)22(23)16-28-30-25(32)24(31)29-20-7-2-1-3-8-20/h1-16H,(H,29,31)(H,30,32) |
| InChIK | FLSKRLXPFMJLJS-UHFFFAOYSA-N |
| TotalMolweight | 471.899 |
| Molweight | 471.899 |
| MonoisotopicMass | 471.098584 |
| CLogP | 5.3748 |
| CLogS | -7.337 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 353.73 |
| Relative PSA | 0.2362 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.4163 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [1-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
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