[4-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C28H21N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C28H21N3O4 |
| Smiles | O=C(c1ccccc1)Nc(cc1)ccc1C(N/N=C\c(cc1)ccc1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C28H21N3O4/c32-26(21-7-3-1-4-8-21)30-24-15-13-22(14-16-24)27(33)31-29-19-20-11-17-25(18-12-20)35-28(34)23-9-5-2-6-10-23/h1-19H,(H,30,32)(H,31,33) |
| InChIK | WYJUOZGHXMYDFS-UHFFFAOYSA-N |
| TotalMolweight | 463.492 |
| Molweight | 463.492 |
| MonoisotopicMass | 463.153207 |
| CLogP | 5.7796 |
| CLogS | -6.703 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 363.47 |
| Relative PSA | 0.22987 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 4.4869 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off