N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide
Formula:C17H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide |
| MolecularFormula | C17H15N3O3 |
| Smiles | [O-][N+](c1ccc(/C=C/C=N\NC(Cc2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C17H15N3O3/c21-17(13-15-5-2-1-3-6-15)19-18-12-4-7-14-8-10-16(11-9-14)20(22)23/h1-12H,13H2,(H,19,21) |
| InChIK | CPTRDKCGBRYHKJ-UHFFFAOYSA-N |
| TotalMolweight | 309.324 |
| Molweight | 309.324 |
| MonoisotopicMass | 309.111342 |
| CLogP | 2.2964 |
| CLogS | -4.438 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 250.92 |
| Relative PSA | 0.26475 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.72399 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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