[4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C28H22N2O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C28H22N2O3 |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(cc1)ccc1OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C28H22N2O3/c31-27(19-24-11-6-10-23-9-4-5-12-26(23)24)30-29-20-22-13-16-25(17-14-22)33-28(32)18-15-21-7-2-1-3-8-21/h1-18,20H,19H2,(H,30,31) |
| InChIK | DMFFYKMBHHRPFU-UHFFFAOYSA-N |
| TotalMolweight | 434.494 |
| Molweight | 434.494 |
| MonoisotopicMass | 434.163043 |
| CLogP | 6.1538 |
| CLogS | -7.132 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 349.36 |
| Relative PSA | 0.16902 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 1.9317 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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