N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylpropanamide
Formula:C21H17N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylpropanamide |
| MolecularFormula | C21H17N3O2 |
| Smiles | N#Cc(cccc1)c1-c1ccc(/C=N\NC(CCc2ccccc2)=O)o1 |
| InChI | InChI=1S/C21H17N3O2/c22-14-17-8-4-5-9-19(17)20-12-11-18(26-20)15-23-24-21(25)13-10-16-6-2-1-3-7-16/h1-9,11-12,15H,10,13H2,(H,24,25) |
| InChIK | HBGXUWOCWQJVLA-UHFFFAOYSA-N |
| TotalMolweight | 343.385 |
| Molweight | 343.385 |
| MonoisotopicMass | 343.132077 |
| CLogP | 4.4286 |
| CLogS | -6.189 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.67 |
| Relative PSA | 0.22291 |
| PolarSurfaceArea | 78.39 |
| Druglikeness | 1.0467 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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