N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
Formula:C22H17N5O4
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide |
| MolecularFormula | C22H17N5O4 |
| Smiles | [O-][N+](c1ccc(/C=C(/C(N/N=C\c2ncccc2)=O)\NC(c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C22H17N5O4/c28-21(17-6-2-1-3-7-17)25-20(14-16-9-11-19(12-10-16)27(30)31)22(29)26-24-15-18-8-4-5-13-23-18/h1-15H,(H,25,28)(H,26,29) |
| InChIK | OEQFWRUKICKEEE-UHFFFAOYSA-N |
| TotalMolweight | 415.408 |
| Molweight | 415.408 |
| MonoisotopicMass | 415.128055 |
| CLogP | 2.9498 |
| CLogS | -5.155 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 323.1 |
| Relative PSA | 0.31538 |
| PolarSurfaceArea | 129.27 |
| Druglikeness | 1.2988 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
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