N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C19H13N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C19H13N2O4Br |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(cc1OCOc1c1)c1Br)=O |
| InChI | InChI=1S/C19H13BrN2O4/c20-15-8-18-17(25-10-26-18)7-13(15)9-21-22-19(24)14-5-11-3-1-2-4-12(11)6-16(14)23/h1-9,23H,10H2,(H,22,24) |
| InChIK | PABBHSZVIUWXLZ-UHFFFAOYSA-N |
| TotalMolweight | 413.226 |
| Molweight | 413.226 |
| MonoisotopicMass | 412.005869 |
| CLogP | 4.8869 |
| CLogS | -6.576 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 266.83 |
| Relative PSA | 0.259 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | 2.4225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
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