3-[(Z)-benzylideneamino]spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
Formula:C20H21N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-benzylideneamino]spiro[1H-quinazoline-2,1'-cyclohexane]-4-one is a drug-like molecule.
| MolName | 3-[(Z)-benzylideneamino]spiro[1H-quinazoline-2,1'-cyclohexane]-4-one |
| MolecularFormula | C20H21N3O |
| Smiles | O=C(c(cccc1)c1NC12CCCCC2)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C20H21N3O/c24-19-17-11-5-6-12-18(17)22-20(13-7-2-8-14-20)23(19)21-15-16-9-3-1-4-10-16/h1,3-6,9-12,15,22H,2,7-8,13-14H2 |
| InChIK | KBVNDBYRSMNCBH-UHFFFAOYSA-N |
| TotalMolweight | 319.407 |
| Molweight | 319.407 |
| MonoisotopicMass | 319.168462 |
| CLogP | 3.8909 |
| CLogS | -4.886 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.5 |
| Relative PSA | 0.15856 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | -0.89478 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 3-[(Z)-benzylideneamino]spiro[1H-quinazoline-2,1'-cyclohexane]-4-one | 2 - 3-[(Z)-benzylideneamino]spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
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