N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-benzodioxole-5-carboxamide
Formula:C17H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C17H14N2O3 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C17H14N2O3/c20-17(14-8-9-15-16(11-14)22-12-21-15)19-18-10-4-7-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20) |
| InChIK | PDKPTFCDFDQBGT-UHFFFAOYSA-N |
| TotalMolweight | 294.309 |
| Molweight | 294.309 |
| MonoisotopicMass | 294.100443 |
| CLogP | 3.3313 |
| CLogS | -4.724 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 233.75 |
| Relative PSA | 0.23961 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-benzodioxole-5-carboxamide | 2 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-benzodioxole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off