[4-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C23H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C23H18N2O4 |
| Smiles | Oc(cc1)ccc1C(N/N=C\c(cc1)ccc1OC(/C=C/c1ccccc1)=O)=O |
| InChI | InChI=1S/C23H18N2O4/c26-20-11-9-19(10-12-20)23(28)25-24-16-18-6-13-21(14-7-18)29-22(27)15-8-17-4-2-1-3-5-17/h1-16,26H,(H,25,28) |
| InChIK | KFXPFDQLASBSJR-UHFFFAOYSA-N |
| TotalMolweight | 386.406 |
| Molweight | 386.406 |
| MonoisotopicMass | 386.126658 |
| CLogP | 4.6156 |
| CLogS | -5.265 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 307.35 |
| Relative PSA | 0.23475 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 1.8767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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