[3-benzoyloxy-4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C28H19N2O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C28H19N2O5F |
| Smiles | O=C(c(cc1)ccc1F)N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C28H19FN2O5/c29-23-14-11-19(12-15-23)26(32)31-30-18-22-13-16-24(35-27(33)20-7-3-1-4-8-20)17-25(22)36-28(34)21-9-5-2-6-10-21/h1-18H,(H,31,32) |
| InChIK | USZAYWDVSWGPGN-UHFFFAOYSA-N |
| TotalMolweight | 482.466 |
| Molweight | 482.466 |
| MonoisotopicMass | 482.127801 |
| CLogP | 6.1634 |
| CLogS | -6.975 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 368.36 |
| Relative PSA | 0.22285 |
| PolarSurfaceArea | 94.06 |
| Druglikeness | 2.6576 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - [3-benzoyloxy-4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate | 2 - [3-benzoyloxy-4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off