(E)-2-amino-5-phosphonopent-4-enoic acid
Formula:C5H10NO5P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-amino-5-phosphonopent-4-enoic acid is a drug-like molecule.
| MolName | (E)-2-amino-5-phosphonopent-4-enoic acid |
| MolecularFormula | C5H10NO5P |
| Smiles | NC(C/C=C/P(O)(O)=O)C(O)=O |
| InChI | InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h1,3-4H,2,6H2,(H,7,8)(H2,9,10,11)/t4-/m0/s1 |
| InChIK | QHTABWCNPABQCM-BYPYZUCNSA-N |
| TotalMolweight | 195.11 |
| Molweight | 195.11 |
| MonoisotopicMass | 195.029661 |
| CLogP | -6.2294 |
| CLogS | 0.263 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 135.35 |
| Relative PSA | 0.62527 |
| PolarSurfaceArea | 130.66 |
| Druglikeness | -20.928 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Sp3Atoms | 7 |
| Symmetricatoms | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 3 |
| StereoCon | racemate |
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