(3R)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C21H14N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(3R)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C21H14N2O4 |
| Smiles | O=C([C@@H]1Oc(cccc2)c2OC1)N/N=C(\c1c(c2ccc3)c3ccc1)/C2=O |
| InChI | InChI=1S/C21H14N2O4/c24-20-14-8-4-6-12-5-3-7-13(18(12)14)19(20)22-23-21(25)17-11-26-15-9-1-2-10-16(15)27-17/h1-10,17H,11H2,(H,23,25)/t17-/m1/s1 |
| InChIK | HCQAGVBBGHQDGY-QGZVFWFLSA-N |
| TotalMolweight | 358.352 |
| Molweight | 358.352 |
| MonoisotopicMass | 358.095358 |
| CLogP | 3.376 |
| CLogS | -5.939 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.81 |
| Relative PSA | 0.26888 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 4.4664 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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