(E)-2-cyano-3-(3-hydroxynaphthalen-2-yl)prop-2-enamide
Formula:C14H10N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-cyano-3-(3-hydroxynaphthalen-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(3-hydroxynaphthalen-2-yl)prop-2-enamide |
| MolecularFormula | C14H10N2O2 |
| Smiles | NC(/C(/C#N)=C/c1cc2ccccc2cc1O)=O |
| InChI | InChI=1S/C14H10N2O2/c15-8-12(14(16)18)6-11-5-9-3-1-2-4-10(9)7-13(11)17/h1-7,17H,(H2,16,18) |
| InChIK | ZGDUCONHPAVMFG-UHFFFAOYSA-N |
| TotalMolweight | 238.245 |
| Molweight | 238.245 |
| MonoisotopicMass | 238.074228 |
| CLogP | 1.7768 |
| CLogS | -3.657 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 186.9 |
| Relative PSA | 0.29411 |
| PolarSurfaceArea | 87.11 |
| Druglikeness | -3.1609 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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