N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-3-phenylpropanamide
Formula:C16H18N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-3-phenylpropanamide is a drug-like molecule.
| MolName | N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-3-phenylpropanamide |
| MolecularFormula | C16H18N2O |
| Smiles | O=C(CCc1ccccc1)N/N=C(\C1)/C2C1C=CC2 |
| InChI | InChI=1S/C16H18N2O/c19-16(10-9-12-5-2-1-3-6-12)18-17-15-11-13-7-4-8-14(13)15/h1-7,13-14H,8-11H2,(H,18,19) |
| InChIK | NYJRCNQYZYGNDE-UHFFFAOYSA-N |
| TotalMolweight | 254.332 |
| Molweight | 254.332 |
| MonoisotopicMass | 254.141913 |
| CLogP | 3.0328 |
| CLogS | -3.726 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 204.98 |
| Relative PSA | 0.17568 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 1.319 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
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1 - N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-3-phenylpropanamide | 2 - N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-3-phenylpropanamide
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