N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
Formula:C19H15N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide |
| MolecularFormula | C19H15N2O2Br |
| Smiles | O=C(Cc1ccccc1)N/N=C\c1ccc(-c2cccc(Br)c2)o1 |
| InChI | InChI=1S/C19H15BrN2O2/c20-16-8-4-7-15(12-16)18-10-9-17(24-18)13-21-22-19(23)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,22,23) |
| InChIK | FVTLKCQHWVSJGO-UHFFFAOYSA-N |
| TotalMolweight | 383.244 |
| Molweight | 383.244 |
| MonoisotopicMass | 382.031689 |
| CLogP | 4.8638 |
| CLogS | -5.98 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.83 |
| Relative PSA | 0.18644 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 4.6647 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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