[4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C28H21N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C28H21N3O4 |
| Smiles | O=C(/C=C/c1ccccc1)Oc1ccc(/C=N\NC(C(Nc2cccc3ccccc23)=O)=O)cc1 |
| InChI | InChI=1S/C28H21N3O4/c32-26(18-15-20-7-2-1-3-8-20)35-23-16-13-21(14-17-23)19-29-31-28(34)27(33)30-25-12-6-10-22-9-4-5-11-24(22)25/h1-19H,(H,30,33)(H,31,34) |
| InChIK | JXMHRWWUOVQRBV-UHFFFAOYSA-N |
| TotalMolweight | 463.492 |
| Molweight | 463.492 |
| MonoisotopicMass | 463.153207 |
| CLogP | 5.098 |
| CLogS | -6.971 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 364.81 |
| Relative PSA | 0.22902 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 1.2285 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-[(Z)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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