3-[5-[(Z)-[(5-nitropyridine-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoate
Formula:C18H11N4O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[5-[(Z)-[(5-nitropyridine-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 3-[5-[(Z)-[(5-nitropyridine-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoate |
| MolecularFormula | C18H11N4O6 |
| Smiles | [O-]C(c1cccc(-c2ccc(/C=N\NC(c(cc3)ncc3[N+]([O-])=O)=O)o2)c1)=O |
| InChI | InChI=1S/C18H12N4O6/c23-17(15-6-4-13(9-19-15)22(26)27)21-20-10-14-5-7-16(28-14)11-2-1-3-12(8-11)18(24)25/h1-10H,(H,21,23)(H,24,25)/p-1 |
| InChIK | JBNCXCFLLLZPIV-UHFFFAOYSA-M |
| TotalMolweight | 379.307 |
| Molweight | 379.307 |
| MonoisotopicMass | 379.067861 |
| CLogP | -0.3189 |
| CLogS | -4.883 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 284.15 |
| Relative PSA | 0.41819 |
| PolarSurfaceArea | 153.44 |
| Druglikeness | 1.4426 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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