N-[(E)-3-[2-(3-nitrophenyl)hydrazinyl]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
Formula:C21H17N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-[2-(3-nitrophenyl)hydrazinyl]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(E)-3-[2-(3-nitrophenyl)hydrazinyl]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C21H17N5O4 |
| Smiles | [O-][N+](c1cc(NNC(/C(/NC(c2ccccc2)=O)=C\c2cnccc2)=O)ccc1)=O |
| InChI | InChI=1S/C21H17N5O4/c27-20(16-7-2-1-3-8-16)23-19(12-15-6-5-11-22-14-15)21(28)25-24-17-9-4-10-18(13-17)26(29)30/h1-14,24H,(H,23,27)(H,25,28) |
| InChIK | SINNXZVKMDJULT-UHFFFAOYSA-N |
| TotalMolweight | 403.397 |
| Molweight | 403.397 |
| MonoisotopicMass | 403.128055 |
| CLogP | 2.9511 |
| CLogS | -4.148 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 309.8 |
| Relative PSA | 0.32876 |
| PolarSurfaceArea | 128.94 |
| Druglikeness | -0.86239 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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