(E)-3-(4-chlorophenyl)prop-2-en-1-imine
Formula:C9H8NCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)prop-2-en-1-imine is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)prop-2-en-1-imine |
| MolecularFormula | C9H8NCl |
| Smiles | N=C/C=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C9H8ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7,11H |
| InChIK | MKIMQVKHYSFYJX-UHFFFAOYSA-N |
| TotalMolweight | 165.623 |
| Molweight | 165.623 |
| MonoisotopicMass | 165.034526 |
| CLogP | 1.8182 |
| CLogS | -2.148 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 137.28 |
| Relative PSA | 0.11364 |
| PolarSurfaceArea | 23.85 |
| Druglikeness | -1.0595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.81818 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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