N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]aniline
Formula:C12H12N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]aniline is a drug-like molecule.
| MolName | N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]aniline |
| MolecularFormula | C12H12N4O |
| Smiles | C(Cc1nonc11)C/C1=N\Nc1ccccc1 |
| InChI | InChI=1S/C12H12N4O/c1-2-5-9(6-3-1)13-14-10-7-4-8-11-12(10)16-17-15-11/h1-3,5-6,13H,4,7-8H2 |
| InChIK | RPCILGVHYZKMTL-UHFFFAOYSA-N |
| TotalMolweight | 228.254 |
| Molweight | 228.254 |
| MonoisotopicMass | 228.101111 |
| CLogP | 4.1329 |
| CLogS | -2.389 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 182.44 |
| Relative PSA | 0.3235 |
| PolarSurfaceArea | 63.31 |
| Druglikeness | -0.395 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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