(E)-N-[2-(4-chlorophenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
Formula:C17H15N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-(4-chlorophenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-(4-chlorophenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C17H15N2O4Cl |
| Smiles | [O-][N+](c1ccc(/C=C/C(NCCOc(cc2)ccc2Cl)=O)cc1)=O |
| InChI | InChI=1S/C17H15ClN2O4/c18-14-4-8-16(9-5-14)24-12-11-19-17(21)10-3-13-1-6-15(7-2-13)20(22)23/h1-10H,11-12H2,(H,19,21) |
| InChIK | KLKIDTYDRAKKIT-UHFFFAOYSA-N |
| TotalMolweight | 346.769 |
| Molweight | 346.769 |
| MonoisotopicMass | 346.072035 |
| CLogP | 2.537 |
| CLogS | -4.437 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 265.34 |
| Relative PSA | 0.24467 |
| PolarSurfaceArea | 84.15 |
| Druglikeness | -5.6642 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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