5-bromo-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1-benzofuran-2-carboxamide
Formula:C16H11N2O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C16H11N2O3Br |
| Smiles | O=C(c1cc(cc(cc2)Br)c2o1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C16H11BrN2O3/c17-12-5-6-14-11(9-12)10-15(22-14)16(20)19-18-7-1-3-13-4-2-8-21-13/h1-10H,(H,19,20) |
| InChIK | KMDYARDBOAICNC-UHFFFAOYSA-N |
| TotalMolweight | 359.178 |
| Molweight | 359.178 |
| MonoisotopicMass | 357.995304 |
| CLogP | 3.6394 |
| CLogS | -5.712 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 246.1 |
| Relative PSA | 0.26099 |
| PolarSurfaceArea | 67.74 |
| Druglikeness | 2.6125 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| StereoCon |
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