[3-benzoyloxy-4-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C29H19N3O6Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[3-benzoyloxy-4-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C29H19N3O6Cl2 |
| Smiles | O=C(C(N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O)=O)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C29H19Cl2N3O6/c30-21-12-14-23(31)24(15-21)33-26(35)27(36)34-32-17-20-11-13-22(39-28(37)18-7-3-1-4-8-18)16-25(20)40-29(38)19-9-5-2-6-10-19/h1-17H,(H,33,35)(H,34,36) |
| InChIK | UPSDBHKTYJTNHK-UHFFFAOYSA-N |
| TotalMolweight | 576.391 |
| Molweight | 576.391 |
| MonoisotopicMass | 575.065091 |
| CLogP | 6.2169 |
| CLogS | -7.937 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 422.06 |
| Relative PSA | 0.25255 |
| PolarSurfaceArea | 123.16 |
| Druglikeness | 3.4163 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-benzoyloxy-4-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [3-benzoyloxy-4-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off