(E,5S)-5-amino-2,6-dihydroxy-6-oxohex-1-ene-1-diazonium
Formula:C6H10N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E,5S)-5-amino-2,6-dihydroxy-6-oxohex-1-ene-1-diazonium is a drug-like molecule.
| MolName | (E,5S)-5-amino-2,6-dihydroxy-6-oxohex-1-ene-1-diazonium |
| MolecularFormula | C6H10N3O3 |
| Smiles | N[C@@H](CC/C(/O)=C\[N+]#N)C(O)=O |
| InChI | InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h3,5H,1-2,7H2,(H-,10,11,12)/p+1/t5-/m0/s1 |
| InChIK | MKZFABOMIIHLIT-YFKPBYRVSA-O |
| TotalMolweight | 172.163 |
| Molweight | 172.163 |
| MonoisotopicMass | 172.072217 |
| CLogP | -2.8928 |
| CLogS | -0.97 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 141.77 |
| Relative PSA | 0.60542 |
| PolarSurfaceArea | 111.7 |
| Druglikeness | -15.189 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Sp3Atoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (E,5S)-5-amino-2,6-dihydroxy-6-oxohex-1-ene-1-diazonium | 2 - (E,5S)-5-amino-2,6-dihydroxy-6-oxohex-1-ene-1-diazonium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off