(7Z)-7-[(4-fluorophenyl)methylidene]-12H-isoquinolino[2,3-a]quinazolin-5-one
Formula:C23H15N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(7Z)-7-[(4-fluorophenyl)methylidene]-12H-isoquinolino[2,3-a]quinazolin-5-one is a drug-like molecule.
| MolName | (7Z)-7-[(4-fluorophenyl)methylidene]-12H-isoquinolino[2,3-a]quinazolin-5-one |
| MolecularFormula | C23H15N2OF |
| Smiles | O=C1N=C(/C(/c2c(C3)cccc2)=C\c(cc2)ccc2F)N3c2c1cccc2 |
| InChI | InChI=1S/C23H15FN2O/c24-17-11-9-15(10-12-17)13-20-18-6-2-1-5-16(18)14-26-21-8-4-3-7-19(21)23(27)25-22(20)26/h1-13H,14H2 |
| InChIK | ABZZNDUZGZKSSB-UHFFFAOYSA-N |
| TotalMolweight | 354.383 |
| Molweight | 354.383 |
| MonoisotopicMass | 354.116841 |
| CLogP | 3.5573 |
| CLogS | -5.404 |
| H Acceptors | 3 |
| TotalSurfaceArea | 261.62 |
| Relative PSA | 0.10741 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 1.5551 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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