(E)-2-cyano-3-[1-(naphthalen-2-ylmethyl)pyrrol-2-yl]prop-2-enamide
Formula:C19H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-cyano-3-[1-(naphthalen-2-ylmethyl)pyrrol-2-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[1-(naphthalen-2-ylmethyl)pyrrol-2-yl]prop-2-enamide |
| MolecularFormula | C19H15N3O |
| Smiles | NC(/C(/C#N)=C/c1cccn1Cc1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C19H15N3O/c20-12-17(19(21)23)11-18-6-3-9-22(18)13-14-7-8-15-4-1-2-5-16(15)10-14/h1-11H,13H2,(H2,21,23) |
| InChIK | UDMDZQUNJLODFK-UHFFFAOYSA-N |
| TotalMolweight | 301.348 |
| Molweight | 301.348 |
| MonoisotopicMass | 301.121512 |
| CLogP | 2.3893 |
| CLogS | -3.454 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.27 |
| Relative PSA | 0.20035 |
| PolarSurfaceArea | 71.81 |
| Druglikeness | -0.62594 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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