2-anilino-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
Formula:C17H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-anilino-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-anilino-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide |
| MolecularFormula | C17H16N4O3 |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(CNc2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C17H16N4O3/c22-17(13-18-15-9-2-1-3-10-15)20-19-12-6-8-14-7-4-5-11-16(14)21(23)24/h1-12,18H,13H2,(H,20,22) |
| InChIK | PWVFFHYBRLJHKY-UHFFFAOYSA-N |
| TotalMolweight | 324.339 |
| Molweight | 324.339 |
| MonoisotopicMass | 324.122241 |
| CLogP | 1.5902 |
| CLogS | -4.295 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 262.38 |
| Relative PSA | 0.29686 |
| PolarSurfaceArea | 99.31 |
| Druglikeness | -0.073367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-anilino-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide | 2 - 2-anilino-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
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