3-[5-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
Formula:C20H13N3O7Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-[5-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 3-[5-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate |
| MolecularFormula | C20H13N3O7Cl |
| Smiles | [O-]C(c1cccc(-c2ccc(/C=N\NC(COc(ccc(Cl)c3)c3[N+]([O-])=O)=O)o2)c1)=O |
| InChI | InChI=1S/C20H14ClN3O7/c21-14-4-6-18(16(9-14)24(28)29)30-11-19(25)23-22-10-15-5-7-17(31-15)12-2-1-3-13(8-12)20(26)27/h1-10H,11H2,(H,23,25)(H,26,27)/p-1 |
| InChIK | NSDFNJLJUXIOEW-UHFFFAOYSA-M |
| TotalMolweight | 442.79 |
| Molweight | 442.79 |
| MonoisotopicMass | 442.044204 |
| CLogP | 0.8089 |
| CLogS | -6.17 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 324.57 |
| Relative PSA | 0.36313 |
| PolarSurfaceArea | 149.78 |
| Druglikeness | 1.4673 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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