N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C14H11N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C14H11N2O3ClS |
| Smiles | O=C(C1Oc(cccc2)c2OC1)N/N=C\c(s1)ccc1Cl |
| InChI | InChI=1S/C14H11ClN2O3S/c15-13-6-5-9(21-13)7-16-17-14(18)12-8-19-10-3-1-2-4-11(10)20-12/h1-7,12H,8H2,(H,17,18)/t12-/m0/s1 |
| InChIK | PTRDIWDLECIHKN-LBPRGKRZSA-N |
| TotalMolweight | 322.771 |
| Molweight | 322.771 |
| MonoisotopicMass | 322.01789 |
| CLogP | 3.421 |
| CLogS | -4.506 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 231.11 |
| Relative PSA | 0.33045 |
| PolarSurfaceArea | 88.16 |
| Druglikeness | 6.2396 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon | racemate |
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1 - N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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