N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide
Formula:C19H17N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide |
| MolecularFormula | C19H17N3O2 |
| Smiles | O=C(CNc1cccc2ccccc12)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C19H17N3O2/c23-19(22-21-12-4-8-16-9-5-13-24-16)14-20-18-11-3-7-15-6-1-2-10-17(15)18/h1-13,20H,14H2,(H,22,23) |
| InChIK | UIJKQFNYUUOXOV-UHFFFAOYSA-N |
| TotalMolweight | 319.363 |
| Molweight | 319.363 |
| MonoisotopicMass | 319.132077 |
| CLogP | 2.8949 |
| CLogS | -5.123 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 263 |
| Relative PSA | 0.23414 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | 4.8494 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide | 2 - N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide
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