| MolName | [1-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate |
| MolecularFormula | C29H24N2O4 |
| Smiles | C=CCc(cccc1)c1OCC(N/N=C\c(c1ccccc1cc1)c1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C29H24N2O4/c1-2-10-22-12-7-9-16-26(22)34-20-28(32)31-30-19-25-24-15-8-6-11-21(24)17-18-27(25)35-29(33)23-13-4-3-5-14-23/h2-9,11-19H,1,10,20H2,(H,31,32) |
| InChIK | TUOCYUDUEFUNEA-UHFFFAOYSA-N |
| TotalMolweight | 464.52 |
| Molweight | 464.52 |
| MonoisotopicMass | 464.173608 |
| CLogP | 6.4298 |
| CLogS | -7.289 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 371.16 |
| Relative PSA | 0.18604 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 1.2088 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [1-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate | 2 - [1-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate