(E)-3-(3,4-dichloroanilino)-1-naphthalen-1-ylprop-2-en-1-one
Formula:C19H13NOCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(3,4-dichloroanilino)-1-naphthalen-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3,4-dichloroanilino)-1-naphthalen-1-ylprop-2-en-1-one |
| MolecularFormula | C19H13NOCl2 |
| Smiles | O=C(/C=C/Nc(cc1)cc(Cl)c1Cl)c1cccc2ccccc12 |
| InChI | InChI=1S/C19H13Cl2NO/c20-17-9-8-14(12-18(17)21)22-11-10-19(23)16-7-3-5-13-4-1-2-6-15(13)16/h1-12,22H |
| InChIK | IXERYVLGVPLITO-UHFFFAOYSA-N |
| TotalMolweight | 342.224 |
| Molweight | 342.224 |
| MonoisotopicMass | 341.037418 |
| CLogP | 4.8809 |
| CLogS | -6.864 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 254.17 |
| Relative PSA | 0.096392 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.65801 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| StereoCon |
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