(2R)-2-aminobut-3-en-1-ol
Formula:C4H9NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2R)-2-aminobut-3-en-1-ol is a drug-like molecule.
| MolName | (2R)-2-aminobut-3-en-1-ol |
| MolecularFormula | C4H9NO |
| Smiles | C=C[C@H](CO)N |
| InChI | InChI=1S/C4H9NO/c1-2-4(5)3-6/h2,4,6H,1,3,5H2/t4-/m1/s1 |
| InChIK | RKBAYXYCMQLBCZ-SCSAIBSYSA-N |
| TotalMolweight | 87.1215 |
| Molweight | 87.1215 |
| MonoisotopicMass | 87.068414 |
| CLogP | -0.6458 |
| CLogS | -0.633 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 79.17 |
| Relative PSA | 0.35834 |
| PolarSurfaceArea | 46.25 |
| Druglikeness | -7.6969 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.83333 |
| Fragments | 1 |
| Non HAtoms | 6 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Sp3Atoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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