N-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]benzamide
Formula:C23H17NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]benzamide is a drug-like molecule.
| MolName | N-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]benzamide |
| MolecularFormula | C23H17NO4 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)c(cc1)ccc1NC(c1ccccc1)=O |
| InChI | InChI=1S/C23H17NO4/c25-20(12-6-16-7-13-21-22(14-16)28-15-27-21)17-8-10-19(11-9-17)24-23(26)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,26) |
| InChIK | HVIOURAKXDHWLD-UHFFFAOYSA-N |
| TotalMolweight | 371.391 |
| Molweight | 371.391 |
| MonoisotopicMass | 371.115759 |
| CLogP | 4.5627 |
| CLogS | -6.063 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 286.5 |
| Relative PSA | 0.20084 |
| PolarSurfaceArea | 64.63 |
| Druglikeness | 1.921 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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