[1-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C25H16N3O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C25H16N3O5Cl |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O)=O)=O |
| InChI | InChI=1S/C25H16ClN3O5/c26-19-10-5-18(6-11-19)25(31)34-23-14-9-16-3-1-2-4-21(16)22(23)15-27-28-24(30)17-7-12-20(13-8-17)29(32)33/h1-15H,(H,28,30) |
| InChIK | XQFQFDSFKOJEKZ-UHFFFAOYSA-N |
| TotalMolweight | 473.871 |
| Molweight | 473.871 |
| MonoisotopicMass | 473.077849 |
| CLogP | 5.5109 |
| CLogS | -7.993 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 348.19 |
| Relative PSA | 0.25696 |
| PolarSurfaceArea | 113.58 |
| Druglikeness | -1.0349 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [1-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
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