[4-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C29H23N3O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C29H23N3O4 |
| Smiles | O=C(CNC(c1cccc2ccccc12)=O)N/N=C\c(cc1)ccc1OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C29H23N3O4/c33-27(20-30-29(35)26-12-6-10-23-9-4-5-11-25(23)26)32-31-19-22-13-16-24(17-14-22)36-28(34)18-15-21-7-2-1-3-8-21/h1-19H,20H2,(H,30,35)(H,32,33) |
| InChIK | XPLKVBISINLSMJ-UHFFFAOYSA-N |
| TotalMolweight | 477.519 |
| Molweight | 477.519 |
| MonoisotopicMass | 477.168857 |
| CLogP | 5.2394 |
| CLogS | -6.934 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 378.57 |
| Relative PSA | 0.2207 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 2.9471 |
| 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 | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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