[(2R)-1-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium
Formula:C19H20N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2R)-1-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium is a drug-like molecule.
| MolName | [(2R)-1-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium |
| MolecularFormula | C19H20N3O2 |
| Smiles | [NH3+][C@H](Cc1ccccc1)C(N/N=C\C1=Cc(cccc2)c2OC1)=O |
| InChI | InChI=1S/C19H19N3O2/c20-17(11-14-6-2-1-3-7-14)19(23)22-21-12-15-10-16-8-4-5-9-18(16)24-13-15/h1-10,12,17H,11,13,20H2,(H,22,23)/p+1/t17-/m1/s1 |
| InChIK | RULIEJFEGVXNFT-QGZVFWFLSA-O |
| TotalMolweight | 322.387 |
| Molweight | 322.387 |
| MonoisotopicMass | 322.155552 |
| CLogP | -1.1644 |
| CLogS | -3.913 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 255.95 |
| Relative PSA | 0.23634 |
| PolarSurfaceArea | 78.33 |
| Druglikeness | 3.7585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - [(2R)-1-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium | 2 - [(2R)-1-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off