(E)-N-(4-chlorophenyl)-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide
Formula:C19H13N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-chlorophenyl)-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4-chlorophenyl)-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide |
| MolecularFormula | C19H13N4O3Cl |
| Smiles | [O-][N+](c1cccc(-c2ncc(/C=C/C(Nc(cc3)ccc3Cl)=O)cn2)c1)=O |
| InChI | InChI=1S/C19H13ClN4O3/c20-15-5-7-16(8-6-15)23-18(25)9-4-13-11-21-19(22-12-13)14-2-1-3-17(10-14)24(26)27/h1-12H,(H,23,25) |
| InChIK | JWEXWDXOCRXKAV-UHFFFAOYSA-N |
| TotalMolweight | 380.79 |
| Molweight | 380.79 |
| MonoisotopicMass | 380.067618 |
| CLogP | 2.9005 |
| CLogS | -5.835 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 285.1 |
| Relative PSA | 0.26959 |
| PolarSurfaceArea | 100.7 |
| Druglikeness | -5.4509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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