[1-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
Formula:C26H17N3O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate |
| MolecularFormula | C26H17N3O4Cl2 |
| Smiles | O=C(C(N/N=C\c(c1ccccc1cc1)c1OC(c1ccccc1)=O)=O)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C26H17Cl2N3O4/c27-21-12-11-18(14-22(21)28)30-24(32)25(33)31-29-15-20-19-9-5-4-6-16(19)10-13-23(20)35-26(34)17-7-2-1-3-8-17/h1-15H,(H,30,32)(H,31,33) |
| InChIK | MYAXXTTXEAZPPQ-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 | none |
| 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-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate | 2 - [1-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
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