(E)-3-[1-(4-chlorophenyl)pyrrol-2-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C19H18N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[1-(4-chlorophenyl)pyrrol-2-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[1-(4-chlorophenyl)pyrrol-2-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C19H18N3O2Cl |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C\c1cccn1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H18ClN3O2/c20-15-5-7-16(8-6-15)23-9-1-3-17(23)11-14(12-21)19(24)22-13-18-4-2-10-25-18/h1,3,5-9,11,18H,2,4,10,13H2,(H,22,24)/t18-/m1/s1 |
| InChIK | QOSHPXDDFBUQBB-GOSISDBHSA-N |
| TotalMolweight | 355.824 |
| Molweight | 355.824 |
| MonoisotopicMass | 355.108754 |
| CLogP | 2.4243 |
| CLogS | -6.021 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 277.31 |
| Relative PSA | 0.19808 |
| PolarSurfaceArea | 67.05 |
| Druglikeness | -1.6776 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (E)-3-[1-(4-chlorophenyl)pyrrol-2-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide | 2 - (E)-3-[1-(4-chlorophenyl)pyrrol-2-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
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