N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide
Formula:C14H12N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide |
| MolecularFormula | C14H12N2O2 |
| Smiles | O=C(c1ccccc1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C14H12N2O2/c17-14(12-6-2-1-3-7-12)16-15-10-4-8-13-9-5-11-18-13/h1-11H,(H,16,17) |
| InChIK | PRHYRSJDDCIOKT-UHFFFAOYSA-N |
| TotalMolweight | 240.261 |
| Molweight | 240.261 |
| MonoisotopicMass | 240.089878 |
| CLogP | 2.4086 |
| CLogS | -3.695 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 203.18 |
| Relative PSA | 0.24668 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 4.1634 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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