(E)-N-[(4-nitrophenyl)methoxy]-1-[(1S,2S)-2-phenylcyclopropyl]-1-pyridin-2-ylmethanimine
Formula:C22H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(4-nitrophenyl)methoxy]-1-[(1S,2S)-2-phenylcyclopropyl]-1-pyridin-2-ylmethanimine is a drug-like molecule.
| MolName | (E)-N-[(4-nitrophenyl)methoxy]-1-[(1S,2S)-2-phenylcyclopropyl]-1-pyridin-2-ylmethanimine |
| MolecularFormula | C22H19N3O3 |
| Smiles | [O-][N+](c1ccc(CO/N=C(\[C@@H](C2)[C@H]2c2ccccc2)/c2ncccc2)cc1)=O |
| InChI | InChI=1S/C22H19N3O3/c26-25(27)18-11-9-16(10-12-18)15-28-24-22(21-8-4-5-13-23-21)20-14-19(20)17-6-2-1-3-7-17/h1-13,19-20H,14-15H2/t19-,20-/m0/s1 |
| InChIK | CGFJLRZHILVUBX-PMACEKPBSA-N |
| TotalMolweight | 373.411 |
| Molweight | 373.411 |
| MonoisotopicMass | 373.142642 |
| CLogP | 3.9676 |
| CLogS | -5.44 |
| H Acceptors | 6 |
| TotalSurfaceArea | 287.2 |
| Relative PSA | 0.21901 |
| PolarSurfaceArea | 80.3 |
| Druglikeness | -3.6202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (E)-N-[(4-nitrophenyl)methoxy]-1-[(1S,2S)-2-phenylcyclopropyl]-1-pyridin-2-ylmethanimine | 2 - (E)-N-[(4-nitrophenyl)methoxy]-1-[(1S,2S)-2-phenylcyclopropyl]-1-pyridin-2-ylmethanimine
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