(7E)-7-(1,3-benzodioxol-5-ylmethylidene)-12H-isoquinolino[2,3-a]quinazolin-5-one
Formula:C24H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(7E)-7-(1,3-benzodioxol-5-ylmethylidene)-12H-isoquinolino[2,3-a]quinazolin-5-one is a drug-like molecule.
| MolName | (7E)-7-(1,3-benzodioxol-5-ylmethylidene)-12H-isoquinolino[2,3-a]quinazolin-5-one |
| MolecularFormula | C24H16N2O3 |
| Smiles | O=C1N=C(/C(/c2c(C3)cccc2)=C/c(cc2)cc4c2OCO4)N3c2c1cccc2 |
| InChI | InChI=1S/C24H16N2O3/c27-24-18-7-3-4-8-20(18)26-13-16-5-1-2-6-17(16)19(23(26)25-24)11-15-9-10-21-22(12-15)29-14-28-21/h1-12H,13-14H2 |
| InChIK | KNUXGXGXMLHCHD-UHFFFAOYSA-N |
| TotalMolweight | 380.402 |
| Molweight | 380.402 |
| MonoisotopicMass | 380.116093 |
| CLogP | 3.5679 |
| CLogS | -5.801 |
| H Acceptors | 5 |
| TotalSurfaceArea | 275.53 |
| Relative PSA | 0.17457 |
| PolarSurfaceArea | 51.13 |
| Druglikeness | 2.7963 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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