(E)-N,3-diphenylprop-2-en-1-imine oxide
Formula:C15H13NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N,3-diphenylprop-2-en-1-imine oxide is a drug-like molecule.
| MolName | (E)-N,3-diphenylprop-2-en-1-imine oxide |
| MolecularFormula | C15H13NO |
| Smiles | [O-]/[N+](/c1ccccc1)=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C15H13NO/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-13H |
| InChIK | DGGUHHKIBNARMK-UHFFFAOYSA-N |
| TotalMolweight | 223.274 |
| Molweight | 223.274 |
| MonoisotopicMass | 223.099714 |
| CLogP | 3.0341 |
| CLogS | -3.92 |
| H Acceptors | 2 |
| TotalSurfaceArea | 190.15 |
| Relative PSA | 0.091402 |
| PolarSurfaceArea | 28.75 |
| Druglikeness | -4.4683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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