2-(4-chloroanilino)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C17H16N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-chloroanilino)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(4-chloroanilino)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C17H16N3OCl |
| Smiles | O=C(CNc(cc1)ccc1Cl)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C17H16ClN3O/c18-15-8-10-16(11-9-15)19-13-17(22)21-20-12-4-7-14-5-2-1-3-6-14/h1-12,19H,13H2,(H,21,22) |
| InChIK | XVYMFJMRHLJIMU-UHFFFAOYSA-N |
| TotalMolweight | 313.787 |
| Molweight | 313.787 |
| MonoisotopicMass | 313.098189 |
| CLogP | 3.1178 |
| CLogS | -4.571 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 254.13 |
| Relative PSA | 0.18679 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 5.0731 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(4-chloroanilino)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(4-chloroanilino)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
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