[3-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
Formula:C21H16N4O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate |
| MolecularFormula | C21H16N4O7 |
| Smiles | [O-][N+](c(cc1)ccc1C(Oc1cc(/C=N\NC(CNC(c2ccco2)=O)=O)ccc1)=O)=O |
| InChI | InChI=1S/C21H16N4O7/c26-19(13-22-20(27)18-5-2-10-31-18)24-23-12-14-3-1-4-17(11-14)32-21(28)15-6-8-16(9-7-15)25(29)30/h1-12H,13H2,(H,22,27)(H,24,26) |
| InChIK | NJZMAVASHNWWOW-UHFFFAOYSA-N |
| TotalMolweight | 436.379 |
| Molweight | 436.379 |
| MonoisotopicMass | 436.101901 |
| CLogP | 1.9829 |
| CLogS | -5.1 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 330.83 |
| Relative PSA | 0.38715 |
| PolarSurfaceArea | 155.82 |
| Druglikeness | 0.34139 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [3-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate | 2 - [3-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
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