[1-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C25H17N2O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C25H17N2O5Cl |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O)=O |
| InChI | InChI=1S/C25H17ClN2O5/c26-17-8-5-16(6-9-17)25(32)33-23-12-7-15-3-1-2-4-19(15)21(23)14-27-28-24(31)20-11-10-18(29)13-22(20)30/h1-14,29-30H,(H,28,31) |
| InChIK | QHJNGKUEUJHVKF-UHFFFAOYSA-N |
| TotalMolweight | 460.872 |
| Molweight | 460.872 |
| MonoisotopicMass | 460.0826 |
| CLogP | 5.7411 |
| CLogS | -6.941 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 337.22 |
| Relative PSA | 0.2528 |
| PolarSurfaceArea | 108.22 |
| Druglikeness | 4.0444 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [1-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
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