[4-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C25H22N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C25H22N2O4 |
| Smiles | C=CCc(cccc1)c1OCC(N/N=C\c(cc1)ccc1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C25H22N2O4/c1-2-8-20-9-6-7-12-23(20)30-18-24(28)27-26-17-19-13-15-22(16-14-19)31-25(29)21-10-4-3-5-11-21/h2-7,9-17H,1,8,18H2,(H,27,28) |
| InChIK | GRYAMVIENWXNOE-UHFFFAOYSA-N |
| TotalMolweight | 414.46 |
| Molweight | 414.46 |
| MonoisotopicMass | 414.157958 |
| CLogP | 5.2354 |
| CLogS | -5.683 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 336.56 |
| Relative PSA | 0.20516 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 1.2088 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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