(E)-2-cyano-3-(2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
Formula:C19H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-(2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide |
| MolecularFormula | C19H13N3O2 |
| Smiles | N#C/C(/C(Nc1cccc2ncccc12)=O)=C\c(cccc1)c1O |
| InChI | InChI=1S/C19H13N3O2/c20-12-14(11-13-5-1-2-9-18(13)23)19(24)22-17-8-3-7-16-15(17)6-4-10-21-16/h1-11,23H,(H,22,24) |
| InChIK | QSNSCWDBXBGTKO-UHFFFAOYSA-N |
| TotalMolweight | 315.331 |
| Molweight | 315.331 |
| MonoisotopicMass | 315.100777 |
| CLogP | 2.9586 |
| CLogS | -4.18 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 248.36 |
| Relative PSA | 0.25016 |
| PolarSurfaceArea | 86.01 |
| Druglikeness | -1.7495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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