(E)-N-(2-adamantyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
Formula:C19H21N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-adamantyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-adamantyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C19H21N2O3Cl |
| Smiles | [O-][N+](c(cc(/C=C/C(NC1C2CC(C3)CC1CC3C2)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C19H21ClN2O3/c20-16-3-1-11(10-17(16)22(24)25)2-4-18(23)21-19-14-6-12-5-13(8-14)9-15(19)7-12/h1-4,10,12-15,19H,5-9H2,(H,21,23) |
| InChIK | SITMWTBYKAFKMC-UHFFFAOYSA-N |
| TotalMolweight | 360.84 |
| Molweight | 360.84 |
| MonoisotopicMass | 360.12407 |
| CLogP | 3.1585 |
| CLogS | -5.573 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 258.86 |
| Relative PSA | 0.21216 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -4.2042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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