N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]cyclopropanecarboxamide
Formula:C14H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C14H16N2O |
| Smiles | O=C(C1CC1)N/N=C(\CCC1)/c2c1cccc2 |
| InChI | InChI=1S/C14H16N2O/c17-14(11-8-9-11)16-15-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11H,3,5,7-9H2,(H,16,17) |
| InChIK | OILKSMHQHNOCIY-UHFFFAOYSA-N |
| TotalMolweight | 228.294 |
| Molweight | 228.294 |
| MonoisotopicMass | 228.126263 |
| CLogP | 2.7486 |
| CLogS | -4.016 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 179.74 |
| Relative PSA | 0.20034 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 1.6596 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]cyclopropanecarboxamide | 2 - N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]cyclopropanecarboxamide
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