[4-bromo-2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C25H17N2O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C25H17N2O4Br |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C25H17BrN2O4/c26-20-10-11-23(32-25(31)16-6-2-1-3-7-16)19(12-20)15-27-28-24(30)21-13-17-8-4-5-9-18(17)14-22(21)29/h1-15,29H,(H,28,30) |
| InChIK | KQJKTPBSXZHLDI-UHFFFAOYSA-N |
| TotalMolweight | 489.324 |
| Molweight | 489.324 |
| MonoisotopicMass | 488.037169 |
| CLogP | 6.206 |
| CLogS | -7.335 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 334.08 |
| Relative PSA | 0.21597 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 2.2078 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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