N-[(Z)-[4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-2,4-dihydroxybenzamide
Formula:C22H18N4O6
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-2,4-dihydroxybenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-2,4-dihydroxybenzamide |
| MolecularFormula | C22H18N4O6 |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c1ccc(/C=N\NC(c(ccc(O)c2)c2O)=O)cc1)=O |
| InChI | InChI=1S/C22H18N4O6/c27-15-5-7-17(19(29)9-15)21(31)25-23-11-13-1-2-14(4-3-13)12-24-26-22(32)18-8-6-16(28)10-20(18)30/h1-12,27-30H,(H,25,31)(H,26,32) |
| InChIK | RIHXRCDQJHBSQY-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 | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| 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 | 17 |
| StereoCon |
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1 - N-[(Z)-[4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-2,4-dihydroxybenzamide | 2 - N-[(Z)-[4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-2,4-dihydroxybenzamide
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