(2,4-dichlorophenyl) (E)-3-anilinoprop-2-enoate
Formula:C15H11NO2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2,4-dichlorophenyl) (E)-3-anilinoprop-2-enoate is a drug-like molecule.
| MolName | (2,4-dichlorophenyl) (E)-3-anilinoprop-2-enoate |
| MolecularFormula | C15H11NO2Cl2 |
| Smiles | O=C(/C=C/Nc1ccccc1)Oc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H11Cl2NO2/c16-11-6-7-14(13(17)10-11)20-15(19)8-9-18-12-4-2-1-3-5-12/h1-10,18H |
| InChIK | PSDHGQIRYPRPTI-UHFFFAOYSA-N |
| TotalMolweight | 308.163 |
| Molweight | 308.163 |
| MonoisotopicMass | 307.016683 |
| CLogP | 3.802 |
| CLogS | -4.874 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 229.57 |
| Relative PSA | 0.15028 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -2.5749 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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