N-[(Z)-[4-[(Z)-[(3,5-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-dihydroxybenzamide
Formula:C22H18N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(Z)-[(3,5-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-dihydroxybenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(Z)-[(3,5-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-dihydroxybenzamide |
| MolecularFormula | C22H18N4O6 |
| Smiles | Oc1cc(C(N/N=C\c2ccc(/C=N\NC(c3cc(O)cc(O)c3)=O)cc2)=O)cc(O)c1 |
| InChI | InChI=1S/C22H18N4O6/c27-17-5-15(6-18(28)9-17)21(31)25-23-11-13-1-2-14(4-3-13)12-24-26-22(32)16-7-19(29)10-20(30)8-16/h1-12,27-30H,(H,25,31)(H,26,32) |
| InChIK | GNITWRJZRGPYKV-UHFFFAOYSA-N |
| TotalMolweight | 434.407 |
| Molweight | 434.407 |
| MonoisotopicMass | 434.122636 |
| CLogP | 3.3608 |
| CLogS | -4.642 |
| H Acceptors | 10 |
| H Donors | 6 |
| TotalSurfaceArea | 326.12 |
| Relative PSA | 0.38152 |
| PolarSurfaceArea | 163.84 |
| Druglikeness | 4.4204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 20 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-[(Z)-[(3,5-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-dihydroxybenzamide | 2 - N-[(Z)-[4-[(Z)-[(3,5-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-dihydroxybenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off