[4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C20H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C20H15N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c(cc1)ccc1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C20H15N3O4/c24-20(16-4-2-1-3-5-16)27-19-12-6-15(7-13-19)14-21-22-17-8-10-18(11-9-17)23(25)26/h1-14,22H |
| InChIK | WTQPPXFXTIWZPY-UHFFFAOYSA-N |
| TotalMolweight | 361.356 |
| Molweight | 361.356 |
| MonoisotopicMass | 361.106257 |
| CLogP | 5.3498 |
| CLogS | -5.079 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 280.42 |
| Relative PSA | 0.27256 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -3.3782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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