(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
Formula:C19H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is a drug-like molecule.
| MolName | (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one |
| MolecularFormula | C19H14N2O3 |
| Smiles | O=C1N(CC/C2=C\c(cc3)cc4c3OCO4)C2=Nc2c1cccc2 |
| InChI | InChI=1S/C19H14N2O3/c22-19-14-3-1-2-4-15(14)20-18-13(7-8-21(18)19)9-12-5-6-16-17(10-12)24-11-23-16/h1-6,9-10H,7-8,11H2 |
| InChIK | MLPGMCCWUJNMEG-UHFFFAOYSA-N |
| TotalMolweight | 318.331 |
| Molweight | 318.331 |
| MonoisotopicMass | 318.100443 |
| CLogP | 3.1055 |
| CLogS | -4.164 |
| H Acceptors | 5 |
| TotalSurfaceArea | 229.53 |
| Relative PSA | 0.20956 |
| PolarSurfaceArea | 51.13 |
| Druglikeness | 3.8293 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one | 2 - (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
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