(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3-nitrophenyl)prop-2-enamide
Formula:C18H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C18H16N2O3 |
| Smiles | [O-][N+](c1cc(/C=C/C(Nc2cc(CCC3)c3cc2)=O)ccc1)=O |
| InChI | InChI=1S/C18H16N2O3/c21-18(10-7-13-3-1-6-17(11-13)20(22)23)19-16-9-8-14-4-2-5-15(14)12-16/h1,3,6-12H,2,4-5H2,(H,19,21) |
| InChIK | FILZHIBWHKQEKK-UHFFFAOYSA-N |
| TotalMolweight | 308.336 |
| Molweight | 308.336 |
| MonoisotopicMass | 308.116093 |
| CLogP | 3.0295 |
| CLogS | -4.78 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 240.18 |
| Relative PSA | 0.22866 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -8.5302 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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