(Z)-2-(1,3-benzoxazol-2-yl)-3-(3-chloroanilino)prop-2-enal
Formula:C16H11N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(1,3-benzoxazol-2-yl)-3-(3-chloroanilino)prop-2-enal is a drug-like molecule.
| MolName | (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-chloroanilino)prop-2-enal |
| MolecularFormula | C16H11N2O2Cl |
| Smiles | O=C/C(/c1nc(cccc2)c2o1)=C\Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C16H11ClN2O2/c17-12-4-3-5-13(8-12)18-9-11(10-20)16-19-14-6-1-2-7-15(14)21-16/h1-10,18H |
| InChIK | LSVGAUSKQOOZBQ-UHFFFAOYSA-N |
| TotalMolweight | 298.728 |
| Molweight | 298.728 |
| MonoisotopicMass | 298.050905 |
| CLogP | 2.626 |
| CLogS | -4 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 227.2 |
| Relative PSA | 0.21822 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | -2.1108 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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