(E)-3-(2-cyanophenyl)-N-(3-nitrophenyl)prop-2-enamide
Formula:C16H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-cyanophenyl)-N-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-cyanophenyl)-N-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C16H11N3O3 |
| Smiles | N#Cc1c(/C=C/C(Nc2cccc([N+]([O-])=O)c2)=O)cccc1 |
| InChI | InChI=1S/C16H11N3O3/c17-11-13-5-2-1-4-12(13)8-9-16(20)18-14-6-3-7-15(10-14)19(21)22/h1-10H,(H,18,20) |
| InChIK | ZEOYKSJPHBWBTF-UHFFFAOYSA-N |
| TotalMolweight | 293.281 |
| Molweight | 293.281 |
| MonoisotopicMass | 293.080042 |
| CLogP | 2.0503 |
| CLogS | -4.731 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 234.11 |
| Relative PSA | 0.29251 |
| PolarSurfaceArea | 98.71 |
| Druglikeness | -9.8183 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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