N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine
Formula:C18H15N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine |
| MolecularFormula | C18H15N3 |
| Smiles | C(C1)c(cccc2)c2/C1=N/Nc1nc2ccccc2cc1 |
| InChI | InChI=1S/C18H15N3/c1-3-7-15-13(5-1)9-11-17(15)20-21-18-12-10-14-6-2-4-8-16(14)19-18/h1-8,10,12H,9,11H2,(H,19,21) |
| InChIK | GVNCMATTZFKUDL-UHFFFAOYSA-N |
| TotalMolweight | 273.338 |
| Molweight | 273.338 |
| MonoisotopicMass | 273.126597 |
| CLogP | 5.839 |
| CLogS | -5.059 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 214.83 |
| Relative PSA | 0.15799 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 0.3148 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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