[4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C30H24N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C30H24N2O4 |
| Smiles | O=C(COc(cc1)ccc1-c1ccccc1)N/N=C\c(cc1)ccc1OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C30H24N2O4/c33-29(22-35-27-18-14-26(15-19-27)25-9-5-2-6-10-25)32-31-21-24-11-16-28(17-12-24)36-30(34)20-13-23-7-3-1-4-8-23/h1-21H,22H2,(H,32,33) |
| InChIK | PJCQROVUNVBOGA-UHFFFAOYSA-N |
| TotalMolweight | 476.531 |
| Molweight | 476.531 |
| MonoisotopicMass | 476.173608 |
| CLogP | 6.1954 |
| CLogS | -7.427 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 384.52 |
| Relative PSA | 0.17957 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 1.8766 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - [4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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