N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]naphthalene-1-carboxamide
Formula:C19H13N2O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]naphthalene-1-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C19H13N2O3Br |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C19H13BrN2O3/c20-16-9-18-17(24-11-25-18)8-13(16)10-21-22-19(23)15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,22,23) |
| InChIK | BCAJIFOLRXOPRM-UHFFFAOYSA-N |
| TotalMolweight | 397.227 |
| Molweight | 397.227 |
| MonoisotopicMass | 396.010954 |
| CLogP | 5.2326 |
| CLogS | -6.872 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 260.48 |
| Relative PSA | 0.21503 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.4478 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| StereoCon |
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