N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]cyclopropanecarboxamide
Formula:C16H12N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]cyclopropanecarboxamide |
| MolecularFormula | C16H12N2O2 |
| Smiles | O=C(C1CC1)N/N=C(/c1c(c2ccc3)c3ccc1)\C2=O |
| InChI | InChI=1S/C16H12N2O2/c19-15-12-6-2-4-9-3-1-5-11(13(9)12)14(15)17-18-16(20)10-7-8-10/h1-6,10H,7-8H2,(H,18,20) |
| InChIK | LWBVTEJSPVBJGS-UHFFFAOYSA-N |
| TotalMolweight | 264.283 |
| Molweight | 264.283 |
| MonoisotopicMass | 264.089878 |
| CLogP | 2.7082 |
| CLogS | -5.263 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 190.81 |
| Relative PSA | 0.25706 |
| PolarSurfaceArea | 58.53 |
| Druglikeness | 5.2101 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| StereoCon |
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