(2E)-6-chloro-2-[(3-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide
Formula:C17H11N3O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-6-chloro-2-[(3-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide is a drug-like molecule.
| MolName | (2E)-6-chloro-2-[(3-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide |
| MolecularFormula | C17H11N3O3ClF |
| Smiles | NC(C1=Cc(cc(cc2)Cl)c2O/C1=N/NC(c1cc(F)ccc1)=O)=O |
| InChI | InChI=1S/C17H11ClFN3O3/c18-11-4-5-14-10(6-11)8-13(15(20)23)17(25-14)22-21-16(24)9-2-1-3-12(19)7-9/h1-8H,(H2,20,23)(H,21,24) |
| InChIK | LTGHIPYRVYIBLX-UHFFFAOYSA-N |
| TotalMolweight | 359.743 |
| Molweight | 359.743 |
| MonoisotopicMass | 359.047297 |
| CLogP | 2.579 |
| CLogS | -4.876 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 254.45 |
| Relative PSA | 0.29208 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 3.425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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