N-[(Z)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]pyridine-4-carboxamide
Formula:C15H12N3O2F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]pyridine-4-carboxamide |
| MolecularFormula | C15H12N3O2F |
| Smiles | O=C(c1ccncc1)N/N=C1\c(cc(cc2)F)c2OCC1 |
| InChI | InChI=1S/C15H12FN3O2/c16-11-1-2-14-12(9-11)13(5-8-21-14)18-19-15(20)10-3-6-17-7-4-10/h1-4,6-7,9H,5,8H2,(H,19,20) |
| InChIK | OUWSIGVASXJRBD-UHFFFAOYSA-N |
| TotalMolweight | 285.277 |
| Molweight | 285.277 |
| MonoisotopicMass | 285.091355 |
| CLogP | 2.3852 |
| CLogS | -3.734 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 214.33 |
| Relative PSA | 0.26585 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 1.5082 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]pyridine-4-carboxamide | 2 - N-[(Z)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]pyridine-4-carboxamide
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