N-[(S)-phenyl(phosphonato)methyl]pyridin-1-ium-2-amine
Formula:C12H12N2O3P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(S)-phenyl(phosphonato)methyl]pyridin-1-ium-2-amine is a drug-like molecule.
| MolName | N-[(S)-phenyl(phosphonato)methyl]pyridin-1-ium-2-amine |
| MolecularFormula | C12H12N2O3P |
| Smiles | [O-]P([C@@H](c1ccccc1)Nc1[nH+]cccc1)([O-])=O |
| InChI | InChI=1S/C12H13N2O3P/c15-18(16,17)12(10-6-2-1-3-7-10)14-11-8-4-5-9-13-11/h1-9,12H,(H,13,14)(H2,15,16,17)/p-1/t12-/m0/s1 |
| InChIK | GKVHGQZPQKCFMB-LBPRGKRZSA-M |
| TotalMolweight | 263.212 |
| Molweight | 263.212 |
| MonoisotopicMass | 263.058555 |
| CLogP | -3.939 |
| CLogS | -1.61 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 183.6 |
| Relative PSA | 0.31068 |
| PolarSurfaceArea | 99.17 |
| Druglikeness | -12.634 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon | this enantiomer |
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