6-amino-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]hexanamide
Formula:C16H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-amino-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]hexanamide is a drug-like molecule.
| MolName | 6-amino-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]hexanamide |
| MolecularFormula | C16H19N3O3 |
| Smiles | NCCCCCC(N/N=C\C1=COc(cccc2)c2C1=O)=O |
| InChI | InChI=1S/C16H19N3O3/c17-9-5-1-2-8-15(20)19-18-10-12-11-22-14-7-4-3-6-13(14)16(12)21/h3-4,6-7,10-11H,1-2,5,8-9,17H2,(H,19,20) |
| InChIK | VOYDTAYYIPWMPR-UHFFFAOYSA-N |
| TotalMolweight | 301.345 |
| Molweight | 301.345 |
| MonoisotopicMass | 301.142642 |
| CLogP | 1.3683 |
| CLogS | -3.75 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 243.51 |
| Relative PSA | 0.3052 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | -6.1624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 6-amino-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]hexanamide | 2 - 6-amino-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]hexanamide
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