(2E)-N-(3-bromophenyl)-2-hydroxyiminochromene-3-carboxamide
Formula:C16H11N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2E)-N-(3-bromophenyl)-2-hydroxyiminochromene-3-carboxamide is a drug-like molecule.
| MolName | (2E)-N-(3-bromophenyl)-2-hydroxyiminochromene-3-carboxamide |
| MolecularFormula | C16H11N2O3Br |
| Smiles | O/N=C1/Oc(cccc2)c2C=C1C(Nc1cccc(Br)c1)=O |
| InChI | InChI=1S/C16H11BrN2O3/c17-11-5-3-6-12(9-11)18-15(20)13-8-10-4-1-2-7-14(10)22-16(13)19-21/h1-9,21H,(H,18,20) |
| InChIK | NOKJUEDWHWDVNG-UHFFFAOYSA-N |
| TotalMolweight | 359.178 |
| Molweight | 359.178 |
| MonoisotopicMass | 357.995304 |
| CLogP | 3.6703 |
| CLogS | -4.677 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 231.39 |
| Relative PSA | 0.25546 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 0.85125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-N-(3-bromophenyl)-2-hydroxyiminochromene-3-carboxamide | 2 - (2E)-N-(3-bromophenyl)-2-hydroxyiminochromene-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off