(4Z)-2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1,3-oxazol-5-one
Formula:C18H12NO4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C18H12NO4Cl |
| Smiles | O=C1OC(c2cccc(Cl)c2)=N/C1=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C18H12ClNO4/c19-13-3-1-2-12(10-13)17-20-14(18(21)24-17)8-11-4-5-15-16(9-11)23-7-6-22-15/h1-5,8-10H,6-7H2 |
| InChIK | BQMMRKWFBYCNNO-UHFFFAOYSA-N |
| TotalMolweight | 341.749 |
| Molweight | 341.749 |
| MonoisotopicMass | 341.045486 |
| CLogP | 3.1766 |
| CLogS | -4.837 |
| H Acceptors | 5 |
| TotalSurfaceArea | 244.39 |
| Relative PSA | 0.22321 |
| PolarSurfaceArea | 57.12 |
| Druglikeness | -6.0745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - (4Z)-2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1,3-oxazol-5-one | 2 - (4Z)-2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1,3-oxazol-5-one
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