[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 2-phenylacetate
Formula:C18H17NO2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 2-phenylacetate is a drug-like molecule.
| MolName | [(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 2-phenylacetate |
| MolecularFormula | C18H17NO2 |
| Smiles | O=C(Cc1ccccc1)O/N=C(/CCC1)\c2c1cccc2 |
| InChI | InChI=1S/C18H17NO2/c20-18(13-14-7-2-1-3-8-14)21-19-17-12-6-10-15-9-4-5-11-16(15)17/h1-5,7-9,11H,6,10,12-13H2 |
| InChIK | JAJWWJPSUJORDV-UHFFFAOYSA-N |
| TotalMolweight | 279.338 |
| Molweight | 279.338 |
| MonoisotopicMass | 279.125929 |
| CLogP | 4.5889 |
| CLogS | -4.685 |
| H Acceptors | 3 |
| TotalSurfaceArea | 225.28 |
| Relative PSA | 0.15336 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -6.3516 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 2-phenylacetate | 2 - [(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 2-phenylacetate
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