(E)-3-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
Formula:C15H15N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide |
| MolecularFormula | C15H15N3OCl2 |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)NCCCn1cncc1 |
| InChI | InChI=1S/C15H15Cl2N3O/c16-13-4-2-12(10-14(13)17)3-5-15(21)19-6-1-8-20-9-7-18-11-20/h2-5,7,9-11H,1,6,8H2,(H,19,21) |
| InChIK | IBUDRWUPIDKMNQ-UHFFFAOYSA-N |
| TotalMolweight | 324.21 |
| Molweight | 324.21 |
| MonoisotopicMass | 323.059216 |
| CLogP | 2.7317 |
| CLogS | -3.148 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 248.81 |
| Relative PSA | 0.17017 |
| PolarSurfaceArea | 46.92 |
| Druglikeness | 3.26 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-3-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide | 2 - (E)-3-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
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