N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
Formula:C16H17N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylpropanamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylpropanamide |
| MolecularFormula | C16H17N3O3 |
| Smiles | O=C(CCc1ccccc1)NCC(N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C16H17N3O3/c20-15(9-8-13-5-2-1-3-6-13)17-12-16(21)19-18-11-14-7-4-10-22-14/h1-7,10-11H,8-9,12H2,(H,17,20)(H,19,21) |
| InChIK | GIROWTJXOJOUAI-UHFFFAOYSA-N |
| TotalMolweight | 299.329 |
| Molweight | 299.329 |
| MonoisotopicMass | 299.126992 |
| CLogP | 1.9265 |
| CLogS | -3.405 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 247.17 |
| Relative PSA | 0.3019 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 4.307 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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