N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
Formula:C18H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide |
| MolecularFormula | C18H17N3O2 |
| Smiles | O=C(CNC(c1ccccc1)=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C18H17N3O2/c22-17(14-19-18(23)16-11-5-2-6-12-16)21-20-13-7-10-15-8-3-1-4-9-15/h1-13H,14H2,(H,19,23)(H,21,22) |
| InChIK | ALRGMCVAKBCSQL-UHFFFAOYSA-N |
| TotalMolweight | 307.352 |
| Molweight | 307.352 |
| MonoisotopicMass | 307.132077 |
| CLogP | 2.3036 |
| CLogS | -3.78 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 256.46 |
| Relative PSA | 0.23594 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.3732 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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