| MolName | 2-N-[(Z)-benzylideneamino]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2,4-diamine |
| MolecularFormula | C24H25N5 |
| Smiles | Nc1c(C2(CCCCC2)Cc2c-3cccc2)c3nc(N/N=C\c2ccccc2)n1 |
| InChI | InChI=1S/C24H25N5/c25-22-20-21(27-23(28-22)29-26-16-17-9-3-1-4-10-17)19-12-6-5-11-18(19)15-24(20)13-7-2-8-14-24/h1,3-6,9-12,16H,2,7-8,13-15H2,(H3,25,27,28,29) |
| InChIK | CIGHAFKAXROFEK-UHFFFAOYSA-N |
| TotalMolweight | 383.498 |
| Molweight | 383.498 |
| MonoisotopicMass | 383.210995 |
| CLogP | 6.7281 |
| CLogS | -6.9 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 301.01 |
| Relative PSA | 0.19993 |
| PolarSurfaceArea | 76.19 |
| Druglikeness | -2.2875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-N-[(Z)-benzylideneamino]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2,4-diamine | 2 - 2-N-[(Z)-benzylideneamino]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2,4-diamine