(E)-3-(4-chlorophenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C15H15N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C15H15N2O2Cl |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H15ClN2O2/c16-13-5-3-11(4-6-13)8-12(9-17)15(19)18-10-14-2-1-7-20-14/h3-6,8,14H,1-2,7,10H2,(H,18,19)/t14-/m1/s1 |
| InChIK | MOHHTCDPZACBRY-CQSZACIVSA-N |
| TotalMolweight | 290.749 |
| Molweight | 290.749 |
| MonoisotopicMass | 290.082205 |
| CLogP | 2.1854 |
| CLogS | -3.684 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 228.35 |
| Relative PSA | 0.21047 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -2.5087 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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