(E)-2-amino-6-phosphonohex-4-enoic acid
Formula:C6H12NO5P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-amino-6-phosphonohex-4-enoic acid is a drug-like molecule.
| MolName | (E)-2-amino-6-phosphonohex-4-enoic acid |
| MolecularFormula | C6H12NO5P |
| Smiles | NC(C/C=C/CP(O)(O)=O)C(O)=O |
| InChI | InChI=1S/C6H12NO5P/c7-5(6(8)9)3-1-2-4-13(10,11)12/h1-2,5H,3-4,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1 |
| InChIK | YKHIIZXBBJACFR-YFKPBYRVSA-N |
| TotalMolweight | 209.137 |
| Molweight | 209.137 |
| MonoisotopicMass | 209.045311 |
| CLogP | -5.7357 |
| CLogS | 0.167 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 149.11 |
| Relative PSA | 0.56757 |
| PolarSurfaceArea | 130.66 |
| Druglikeness | -24.244 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Sp3Atoms | 8 |
| Symmetricatoms | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-2-amino-6-phosphonohex-4-enoic acid | 2 - (E)-2-amino-6-phosphonohex-4-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off