[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] cyclopropanecarboxylate
Formula:C14H15NO2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] cyclopropanecarboxylate |
| MolecularFormula | C14H15NO2 |
| Smiles | O=C(C1CC1)O/N=C(\CCC1)/c2c1cccc2 |
| InChI | InChI=1S/C14H15NO2/c16-14(11-8-9-11)17-15-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11H,3,5,7-9H2 |
| InChIK | YWOVITDCRASAHU-UHFFFAOYSA-N |
| TotalMolweight | 229.278 |
| Molweight | 229.278 |
| MonoisotopicMass | 229.110279 |
| CLogP | 3.4651 |
| CLogS | -4.066 |
| H Acceptors | 3 |
| TotalSurfaceArea | 178.28 |
| Relative PSA | 0.1938 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -4.2455 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 1 |
| StereoCon |
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