(E)-N-naphthalen-2-yl-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide
Formula:C23H16N4O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-N-naphthalen-2-yl-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-naphthalen-2-yl-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide |
| MolecularFormula | C23H16N4O3 |
| Smiles | [O-][N+](c1cc(-c2ncc(/C=C/C(Nc3cc4ccccc4cc3)=O)cn2)ccc1)=O |
| InChI | InChI=1S/C23H16N4O3/c28-22(26-20-10-9-17-4-1-2-5-18(17)12-20)11-8-16-14-24-23(25-15-16)19-6-3-7-21(13-19)27(29)30/h1-15H,(H,26,28) |
| InChIK | KFVUMYINTQDOIJ-UHFFFAOYSA-N |
| TotalMolweight | 396.405 |
| Molweight | 396.405 |
| MonoisotopicMass | 396.122241 |
| CLogP | 3.4889 |
| CLogS | -6.705 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 304.28 |
| Relative PSA | 0.2526 |
| PolarSurfaceArea | 100.7 |
| Druglikeness | -5.5383 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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