3-[(Z)-benzylideneamino]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Formula:C24H23N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-[(Z)-benzylideneamino]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is a drug-like molecule.
| MolName | 3-[(Z)-benzylideneamino]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one |
| MolecularFormula | C24H23N3O |
| Smiles | O=C(C(C1(CCCCC1)Cc1c2cccc1)=C2N=C1)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C24H23N3O/c28-23-21-22(25-17-27(23)26-16-18-9-3-1-4-10-18)20-12-6-5-11-19(20)15-24(21)13-7-2-8-14-24/h1,3-6,9-12,16-17H,2,7-8,13-15H2 |
| InChIK | CVHCJJPSWYHVMK-UHFFFAOYSA-N |
| TotalMolweight | 369.467 |
| Molweight | 369.467 |
| MonoisotopicMass | 369.184112 |
| CLogP | 4.6306 |
| CLogS | -5.655 |
| H Acceptors | 4 |
| TotalSurfaceArea | 285.98 |
| Relative PSA | 0.13851 |
| PolarSurfaceArea | 45.03 |
| Druglikeness | 0.70119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-[(Z)-benzylideneamino]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one | 2 - 3-[(Z)-benzylideneamino]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
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