(3E)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine
Formula:C18H13N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine is a drug-like molecule.
| MolName | (3E)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine |
| MolecularFormula | C18H13N5 |
| Smiles | c(cc1)cc(C(Nc2ncccc2)=N2)c1/C2=N\c1ncccc1 |
| InChI | InChI=1S/C18H13N5/c1-2-8-14-13(7-1)17(21-15-9-3-5-11-19-15)23-18(14)22-16-10-4-6-12-20-16/h1-12H,(H,19,20,21,22,23) |
| InChIK | BSMBZDDPUMOQPJ-UHFFFAOYSA-N |
| TotalMolweight | 299.336 |
| Molweight | 299.336 |
| MonoisotopicMass | 299.117095 |
| CLogP | 2.451 |
| CLogS | -4.228 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.2 |
| Relative PSA | 0.24091 |
| PolarSurfaceArea | 62.53 |
| Druglikeness | -0.13417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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