N-[(2Z,4E)-1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
Formula:C23H18N4O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(2Z,4E)-1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(2Z,4E)-1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide |
| MolecularFormula | C23H18N4O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(/C(/NC(c2ccccc2)=O)=C/C=C/c2ccccc2)=O)o1)=O |
| InChI | InChI=1S/C23H18N4O5/c28-22(18-11-5-2-6-12-18)25-20(13-7-10-17-8-3-1-4-9-17)23(29)26-24-16-19-14-15-21(32-19)27(30)31/h1-16H,(H,25,28)(H,26,29) |
| InChIK | KDLULPMKLWTAFX-UHFFFAOYSA-N |
| TotalMolweight | 430.419 |
| Molweight | 430.419 |
| MonoisotopicMass | 430.127721 |
| CLogP | 4.0934 |
| CLogS | -6.445 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 340.53 |
| Relative PSA | 0.30846 |
| PolarSurfaceArea | 129.52 |
| Druglikeness | 4.5881 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(2Z,4E)-1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide | 2 - N-[(2Z,4E)-1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
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