[3-benzoyloxy-4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C33H24N2O5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C33H24N2O5 |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C33H24N2O5/c36-31(20-26-16-9-15-23-10-7-8-17-29(23)26)35-34-22-27-18-19-28(39-32(37)24-11-3-1-4-12-24)21-30(27)40-33(38)25-13-5-2-6-14-25/h1-19,21-22H,20H2,(H,35,36) |
| InChIK | JLNUUZIPFDYOBS-UHFFFAOYSA-N |
| TotalMolweight | 528.563 |
| Molweight | 528.563 |
| MonoisotopicMass | 528.168523 |
| CLogP | 7.2551 |
| CLogS | -8.232 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 410.37 |
| Relative PSA | 0.20004 |
| PolarSurfaceArea | 94.06 |
| Druglikeness | 4.029 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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