(E)-1-cyclopropyl-3-(2,4-dichlorophenyl)prop-2-en-1-one
Formula:C12H10OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-cyclopropyl-3-(2,4-dichlorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-cyclopropyl-3-(2,4-dichlorophenyl)prop-2-en-1-one |
| MolecularFormula | C12H10OCl2 |
| Smiles | O=C(C1CC1)/C=C/c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C12H10Cl2O/c13-10-5-3-8(11(14)7-10)4-6-12(15)9-1-2-9/h3-7,9H,1-2H2 |
| InChIK | FIIVZQLNVYLNMG-UHFFFAOYSA-N |
| TotalMolweight | 241.116 |
| Molweight | 241.116 |
| MonoisotopicMass | 240.010869 |
| CLogP | 3.6817 |
| CLogS | -4.434 |
| H Acceptors | 1 |
| TotalSurfaceArea | 174.87 |
| Relative PSA | 0.07457 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 1.7541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - (E)-1-cyclopropyl-3-(2,4-dichlorophenyl)prop-2-en-1-one | 2 - (E)-1-cyclopropyl-3-(2,4-dichlorophenyl)prop-2-en-1-one
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