(3E)-3-(1,3-benzodioxol-5-ylmethylidene)chromen-4-one
Formula:C17H12O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)chromen-4-one is a drug-like molecule.
| MolName | (3E)-3-(1,3-benzodioxol-5-ylmethylidene)chromen-4-one |
| MolecularFormula | C17H12O4 |
| Smiles | O=C1c(cccc2)c2OC/C1=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C17H12O4/c18-17-12(9-19-14-4-2-1-3-13(14)17)7-11-5-6-15-16(8-11)21-10-20-15/h1-8H,9-10H2 |
| InChIK | JTWIEXZHRVGSPN-UHFFFAOYSA-N |
| TotalMolweight | 280.278 |
| Molweight | 280.278 |
| MonoisotopicMass | 280.07356 |
| CLogP | 3.5352 |
| CLogS | -4.539 |
| H Acceptors | 4 |
| TotalSurfaceArea | 206 |
| Relative PSA | 0.20893 |
| PolarSurfaceArea | 44.76 |
| Druglikeness | 0.17214 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon |
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