(Z)-N-pyridin-1-ium-1-yl-3,4-dihydro-2H-naphthalen-1-imine
Formula:C15H15N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-pyridin-1-ium-1-yl-3,4-dihydro-2H-naphthalen-1-imine is a drug-like molecule.
| MolName | (Z)-N-pyridin-1-ium-1-yl-3,4-dihydro-2H-naphthalen-1-imine |
| MolecularFormula | C15H15N2 |
| Smiles | C(Cc1c2cccc1)C/C2=N/[n+]1ccccc1 |
| InChI | InChI=1S/C15H15N2/c1-4-11-17(12-5-1)16-15-10-6-8-13-7-2-3-9-14(13)15/h1-5,7,9,11-12H,6,8,10H2/q+1 |
| InChIK | JRYMMULIIHRIPN-UHFFFAOYSA-N |
| TotalMolweight | 223.298 |
| Molweight | 223.298 |
| MonoisotopicMass | 223.123523 |
| CLogP | 2.0104 |
| CLogS | -5.514 |
| H Acceptors | 2 |
| TotalSurfaceArea | 181.07 |
| Relative PSA | 0.078809 |
| PolarSurfaceArea | 16.24 |
| Druglikeness | -3.9508 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-N-pyridin-1-ium-1-yl-3,4-dihydro-2H-naphthalen-1-imine | 2 - (Z)-N-pyridin-1-ium-1-yl-3,4-dihydro-2H-naphthalen-1-imine
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