[(Z)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate
Formula:C17H14N3O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate is a drug-like molecule.
| MolName | [(Z)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate |
| MolecularFormula | C17H14N3O4F3 |
| Smiles | N/C(/C1Oc(cccc2)c2OC1)=N\OC(Nc1cccc(C(F)(F)F)c1)=O |
| InChI | InChI=1S/C17H14F3N3O4/c18-17(19,20)10-4-3-5-11(8-10)22-16(24)27-23-15(21)14-9-25-12-6-1-2-7-13(12)26-14/h1-8,14H,9H2,(H2,21,23)(H,22,24)/t14-/m0/s1 |
| InChIK | KWNHVMUIIGJQRF-AWEZNQCLSA-N |
| TotalMolweight | 381.309 |
| Molweight | 381.309 |
| MonoisotopicMass | 381.093641 |
| CLogP | 3.4564 |
| CLogS | -4.852 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 265.94 |
| Relative PSA | 0.30563 |
| PolarSurfaceArea | 95.17 |
| Druglikeness | -12.627 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - [(Z)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate | 2 - [(Z)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate
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