N-[(E)-[(4-aminophenyl)-phenylmethylidene]amino]-2-cyanoacetamide
Formula:C16H14N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[(4-aminophenyl)-phenylmethylidene]amino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(E)-[(4-aminophenyl)-phenylmethylidene]amino]-2-cyanoacetamide |
| MolecularFormula | C16H14N4O |
| Smiles | Nc(cc1)ccc1/C(/c1ccccc1)=N/NC(CC#N)=O |
| InChI | InChI=1S/C16H14N4O/c17-11-10-15(21)19-20-16(12-4-2-1-3-5-12)13-6-8-14(18)9-7-13/h1-9H,10,18H2,(H,19,21) |
| InChIK | UHNYGQJAXCAUPP-UHFFFAOYSA-N |
| TotalMolweight | 278.314 |
| Molweight | 278.314 |
| MonoisotopicMass | 278.116761 |
| CLogP | 1.9772 |
| CLogS | -4.821 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 229.19 |
| Relative PSA | 0.28291 |
| PolarSurfaceArea | 91.27 |
| Druglikeness | -3.982 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| 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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