(E)-4-amino-2,5-dihydroxy-5-oxopent-1-ene-1-diazonium
Formula:C5H8N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-amino-2,5-dihydroxy-5-oxopent-1-ene-1-diazonium is a drug-like molecule.
| MolName | (E)-4-amino-2,5-dihydroxy-5-oxopent-1-ene-1-diazonium |
| MolecularFormula | C5H8N3O3 |
| Smiles | NC(C/C(/O)=C\[N+]#N)C(O)=O |
| InChI | InChI=1S/C5H7N3O3/c6-4(5(10)11)1-3(9)2-8-7/h2,4H,1,6H2,(H-,9,10,11)/p+1/t4-/m0/s1 |
| InChIK | SVXNZTJWVSIAAB-BYPYZUCNSA-O |
| TotalMolweight | 158.137 |
| Molweight | 158.137 |
| MonoisotopicMass | 158.056567 |
| CLogP | -3.3472 |
| CLogS | -0.7 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 128.01 |
| Relative PSA | 0.67049 |
| PolarSurfaceArea | 111.7 |
| Druglikeness | -12.543 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Sp3Atoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-4-amino-2,5-dihydroxy-5-oxopent-1-ene-1-diazonium | 2 - (E)-4-amino-2,5-dihydroxy-5-oxopent-1-ene-1-diazonium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off