[6-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-6-oxohexyl]azanium
Formula:C16H22N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[6-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-6-oxohexyl]azanium is a drug-like molecule.
| MolName | [6-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-6-oxohexyl]azanium |
| MolecularFormula | C16H22N3O2 |
| Smiles | [NH3+]CCCCCC(N/N=C\C1=Cc(cccc2)c2OC1)=O |
| InChI | InChI=1S/C16H21N3O2/c17-9-5-1-2-8-16(20)19-18-11-13-10-14-6-3-4-7-15(14)21-12-13/h3-4,6-7,10-11H,1-2,5,8-9,12,17H2,(H,19,20)/p+1 |
| InChIK | PCZMZLVFPDEJOT-UHFFFAOYSA-O |
| TotalMolweight | 288.37 |
| Molweight | 288.37 |
| MonoisotopicMass | 288.171202 |
| CLogP | -1.148 |
| CLogS | -3.48 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 238.73 |
| Relative PSA | 0.25338 |
| PolarSurfaceArea | 78.33 |
| Druglikeness | -5.4133 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [6-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-6-oxohexyl]azanium | 2 - [6-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-6-oxohexyl]azanium
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