(E)-3-[4-(3-chloropropoxy)phenyl]-1-phenylprop-2-en-1-one
Formula:C18H17O2Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(E)-3-[4-(3-chloropropoxy)phenyl]-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[4-(3-chloropropoxy)phenyl]-1-phenylprop-2-en-1-one |
| MolecularFormula | C18H17O2Cl |
| Smiles | O=C(/C=C/c(cc1)ccc1OCCCCl)c1ccccc1 |
| InChI | InChI=1S/C18H17ClO2/c19-13-4-14-21-17-10-7-15(8-11-17)9-12-18(20)16-5-2-1-3-6-16/h1-3,5-12H,4,13-14H2 |
| InChIK | LNSFMSLLKMWYOR-UHFFFAOYSA-N |
| TotalMolweight | 300.784 |
| Molweight | 300.784 |
| MonoisotopicMass | 300.091707 |
| CLogP | 4.3238 |
| CLogS | -4.829 |
| H Acceptors | 2 |
| TotalSurfaceArea | 243.97 |
| Relative PSA | 0.094438 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -2.415 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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