N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3,4,5-trihydroxybenzamide
Formula:C15H11N2O6Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3,4,5-trihydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3,4,5-trihydroxybenzamide |
| MolecularFormula | C15H11N2O6Br |
| Smiles | Oc1cc(C(N/N=C\c(cc2OCOc2c2)c2Br)=O)cc(O)c1O |
| InChI | InChI=1S/C15H11BrN2O6/c16-9-4-13-12(23-6-24-13)3-8(9)5-17-18-15(22)7-1-10(19)14(21)11(20)2-7/h1-5,19-21H,6H2,(H,18,22) |
| InChIK | ZCDXTRBSPIOHOB-UHFFFAOYSA-N |
| TotalMolweight | 395.164 |
| Molweight | 395.164 |
| MonoisotopicMass | 393.980049 |
| CLogP | 3.0011 |
| CLogS | -4.378 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 244.93 |
| Relative PSA | 0.38913 |
| PolarSurfaceArea | 120.61 |
| Druglikeness | 2.4225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3,4,5-trihydroxybenzamide | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3,4,5-trihydroxybenzamide
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