(E)-N-(4-chlorophenyl)-3-phenylprop-2-en-1-imine
Formula:C15H12NCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-chlorophenyl)-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (E)-N-(4-chlorophenyl)-3-phenylprop-2-en-1-imine |
| MolecularFormula | C15H12NCl |
| Smiles | Clc(cc1)ccc1/N=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C15H12ClN/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-12H |
| InChIK | ZXZVTWCIZIOXIQ-UHFFFAOYSA-N |
| TotalMolweight | 241.72 |
| Molweight | 241.72 |
| MonoisotopicMass | 241.065826 |
| CLogP | 3.6577 |
| CLogS | -4.186 |
| H Acceptors | 1 |
| TotalSurfaceArea | 199.7 |
| Relative PSA | 0.057636 |
| PolarSurfaceArea | 12.36 |
| Druglikeness | -0.059853 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.76471 |
| 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 |
| Symmetricatoms | 4 |
| StereoCon |
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