| MolName | [4-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C25H21N2O4Cl |
| Smiles | C=CCc(cccc1)c1OCC(N/N=C\c(cc1)ccc1OC(c(cccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C25H21ClN2O4/c1-2-7-19-8-3-6-11-23(19)31-17-24(29)28-27-16-18-12-14-20(15-13-18)32-25(30)21-9-4-5-10-22(21)26/h2-6,8-16H,1,7,17H2,(H,28,29) |
| InChIK | GGIFOALCUMMORH-UHFFFAOYSA-N |
| TotalMolweight | 448.905 |
| Molweight | 448.905 |
| MonoisotopicMass | 448.118985 |
| CLogP | 5.8414 |
| CLogS | -6.419 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 351.98 |
| Relative PSA | 0.19618 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 1.2636 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate