N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide
Formula:C19H15N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C19H15N2O3Br |
| Smiles | O=C(c1ccco1)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C19H15BrN2O3/c20-16-9-7-14(8-10-16)13-25-17-5-2-1-4-15(17)12-21-22-19(23)18-6-3-11-24-18/h1-12H,13H2,(H,22,23) |
| InChIK | KAGUUEANSJIMCS-UHFFFAOYSA-N |
| TotalMolweight | 399.243 |
| Molweight | 399.243 |
| MonoisotopicMass | 398.026604 |
| CLogP | 4.4636 |
| CLogS | -5.578 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.83 |
| Relative PSA | 0.21562 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 2.4196 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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