(E)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-en-1-imine
Formula:C21H23N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-en-1-imine is a drug-like molecule.
| MolName | (E)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-en-1-imine |
| MolecularFormula | C21H23N |
| Smiles | C(C1(CCCC1)c1ccccc1)/N=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C21H23N/c1-3-10-19(11-4-1)12-9-17-22-18-21(15-7-8-16-21)20-13-5-2-6-14-20/h1-6,9-14,17H,7-8,15-16,18H2/b12-9?,22-17+ |
| InChIK | PAPMFZOXJYAVCX-DNKHQMMQSA-N |
| TotalMolweight | 289.421 |
| Molweight | 289.421 |
| MonoisotopicMass | 289.183049 |
| CLogP | 4.3931 |
| CLogS | -5.006 |
| H Acceptors | 1 |
| TotalSurfaceArea | 249.99 |
| Relative PSA | 0.046042 |
| PolarSurfaceArea | 12.36 |
| Druglikeness | -0.9025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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