N-[(Z)-naphthalen-2-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C19H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-naphthalen-2-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-2-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C19H14N2O3 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c1cc2ccccc2cc1 |
| InChI | InChI=1S/C19H14N2O3/c22-19(16-7-8-17-18(10-16)24-12-23-17)21-20-11-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H,12H2,(H,21,22) |
| InChIK | QILRPCFWWQCQIM-UHFFFAOYSA-N |
| TotalMolweight | 318.331 |
| Molweight | 318.331 |
| MonoisotopicMass | 318.100443 |
| CLogP | 4.5074 |
| CLogS | -6.038 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 241.85 |
| Relative PSA | 0.23159 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.2378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| StereoCon |
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