[1-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C25H17N2O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C25H17N2O4Cl |
| Smiles | Oc(cc1)ccc1C(N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O)=O |
| InChI | InChI=1S/C25H17ClN2O4/c26-19-10-5-18(6-11-19)25(31)32-23-14-9-16-3-1-2-4-21(16)22(23)15-27-28-24(30)17-7-12-20(29)13-8-17/h1-15,29H,(H,28,30) |
| InChIK | XBKPHLKLLBOBIS-UHFFFAOYSA-N |
| TotalMolweight | 444.873 |
| Molweight | 444.873 |
| MonoisotopicMass | 444.087685 |
| CLogP | 6.0868 |
| CLogS | -7.237 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 330.87 |
| Relative PSA | 0.21806 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 4.0444 |
| Mutagenic | high |
| Tumorigenic | high |
| 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 | 4 |
| StereoCon |
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1 - [1-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
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