(E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyanophenyl)prop-2-enamide
Formula:C17H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyanophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyanophenyl)prop-2-enamide |
| MolecularFormula | C17H12N2O3 |
| Smiles | N#Cc1cccc(NC(/C=C/c(cc2)cc3c2OCO3)=O)c1 |
| InChI | InChI=1S/C17H12N2O3/c18-10-13-2-1-3-14(8-13)19-17(20)7-5-12-4-6-15-16(9-12)22-11-21-15/h1-9H,11H2,(H,19,20) |
| InChIK | YLUJTLXGVKZREB-UHFFFAOYSA-N |
| TotalMolweight | 292.293 |
| Molweight | 292.293 |
| MonoisotopicMass | 292.084793 |
| CLogP | 3.0833 |
| CLogS | -4.982 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 230.7 |
| Relative PSA | 0.25167 |
| PolarSurfaceArea | 71.35 |
| Druglikeness | -4.7553 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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