[1-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C26H18N3O6Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C26H18N3O6Cl |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O)=O)=O |
| InChI | InChI=1S/C26H18ClN3O6/c27-21-10-4-3-9-19(21)26(32)36-23-14-13-17-7-1-2-8-18(17)20(23)15-28-29-25(31)16-35-24-12-6-5-11-22(24)30(33)34/h1-15H,16H2,(H,29,31) |
| InChIK | VMRVKKKORAGPTR-UHFFFAOYSA-N |
| TotalMolweight | 503.897 |
| Molweight | 503.897 |
| MonoisotopicMass | 503.088414 |
| CLogP | 5.0858 |
| CLogS | -7.773 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 371.95 |
| Relative PSA | 0.26743 |
| PolarSurfaceArea | 122.81 |
| Druglikeness | -1.0267 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [1-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
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