N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-phenylpropanamide
Formula:C17H15N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-phenylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-phenylpropanamide |
| MolecularFormula | C17H15N2O3Br |
| Smiles | O=C(CCc1ccccc1)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C17H15BrN2O3/c18-14-9-16-15(22-11-23-16)8-13(14)10-19-20-17(21)7-6-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,20,21) |
| InChIK | QASYTPOBTLLTQP-UHFFFAOYSA-N |
| TotalMolweight | 375.221 |
| Molweight | 375.221 |
| MonoisotopicMass | 374.026604 |
| CLogP | 4.4907 |
| CLogS | -5.501 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 253.4 |
| Relative PSA | 0.22103 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 1.2631 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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