(E)-N-(2-amino-5-nitrophenyl)-3-phenylprop-2-enamide
Formula:C15H13N3O3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(E)-N-(2-amino-5-nitrophenyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-amino-5-nitrophenyl)-3-phenylprop-2-enamide |
| MolecularFormula | C15H13N3O3 |
| Smiles | Nc(ccc([N+]([O-])=O)c1)c1NC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C15H13N3O3/c16-13-8-7-12(18(20)21)10-14(13)17-15(19)9-6-11-4-2-1-3-5-11/h1-10H,16H2,(H,17,19) |
| InChIK | OOYGHWKSUXMZEF-UHFFFAOYSA-N |
| TotalMolweight | 283.286 |
| Molweight | 283.286 |
| MonoisotopicMass | 283.095692 |
| CLogP | 1.5374 |
| CLogS | -4.034 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 220.92 |
| Relative PSA | 0.31772 |
| PolarSurfaceArea | 100.94 |
| Druglikeness | -5.5319 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; 1,2-diamino-aryl |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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