3-[(Z)-benzylideneamino]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Formula:C23H21N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-[(Z)-benzylideneamino]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is a drug-like molecule.
| MolName | 3-[(Z)-benzylideneamino]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one |
| MolecularFormula | C23H21N3O |
| Smiles | O=C(C(C1(CCCC1)Cc1c2cccc1)=C2N=C1)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C23H21N3O/c27-22-20-21(24-16-26(22)25-15-17-8-2-1-3-9-17)19-11-5-4-10-18(19)14-23(20)12-6-7-13-23/h1-5,8-11,15-16H,6-7,12-14H2 |
| InChIK | FGVXCRFWZONYDD-UHFFFAOYSA-N |
| TotalMolweight | 355.44 |
| Molweight | 355.44 |
| MonoisotopicMass | 355.168462 |
| CLogP | 4.2886 |
| CLogS | -5.385 |
| H Acceptors | 4 |
| TotalSurfaceArea | 272.22 |
| Relative PSA | 0.14551 |
| PolarSurfaceArea | 45.03 |
| Druglikeness | 2.8242 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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