(2Z)-2-(benzoylhydrazinylidene)-6-bromochromene-3-carboxamide
Formula:C17H12N3O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(benzoylhydrazinylidene)-6-bromochromene-3-carboxamide is a drug-like molecule.
| MolName | (2Z)-2-(benzoylhydrazinylidene)-6-bromochromene-3-carboxamide |
| MolecularFormula | C17H12N3O3Br |
| Smiles | NC(C1=Cc(cc(cc2)Br)c2O/C1=N\NC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C17H12BrN3O3/c18-12-6-7-14-11(8-12)9-13(15(19)22)17(24-14)21-20-16(23)10-4-2-1-3-5-10/h1-9H,(H2,19,22)(H,20,23) |
| InChIK | FLDLBNFHHGRZHN-UHFFFAOYSA-N |
| TotalMolweight | 386.204 |
| Molweight | 386.204 |
| MonoisotopicMass | 385.006203 |
| CLogP | 2.5974 |
| CLogS | -4.66 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 251.31 |
| Relative PSA | 0.29573 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 2.9279 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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