(E)-2-cyano-3-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C15H14N2O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-3-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C15H14N2O2Cl2 |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C\c1cccc(Cl)c1Cl |
| InChI | InChI=1S/C15H14Cl2N2O2/c16-13-5-1-3-10(14(13)17)7-11(8-18)15(20)19-9-12-4-2-6-21-12/h1,3,5,7,12H,2,4,6,9H2,(H,19,20)/t12-/m1/s1 |
| InChIK | QOEPMWFQTMPWII-GFCCVEGCSA-N |
| TotalMolweight | 325.194 |
| Molweight | 325.194 |
| MonoisotopicMass | 324.043232 |
| CLogP | 2.7914 |
| CLogS | -4.42 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.77 |
| Relative PSA | 0.19715 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -2.5087 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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