(E)-3-(4-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one
Formula:C19H14NOCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(4-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one |
| MolecularFormula | C19H14NOCl |
| Smiles | O=C(/C=C/Nc(cc1)ccc1Cl)c1cccc2ccccc12 |
| InChI | InChI=1S/C19H14ClNO/c20-15-8-10-16(11-9-15)21-13-12-19(22)18-7-3-5-14-4-1-2-6-17(14)18/h1-13,21H |
| InChIK | OPSNAJILPRMUKG-UHFFFAOYSA-N |
| TotalMolweight | 307.779 |
| Molweight | 307.779 |
| MonoisotopicMass | 307.076391 |
| CLogP | 4.2749 |
| CLogS | -6.128 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 238.75 |
| Relative PSA | 0.10262 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.65801 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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