Chemical Name - (r)-3-Amino-1-Butanol
Mol Weight - 89.1373
Smiles - C[C@H](CCO)N
Mol Weight - 89.1373
Smiles - C[C@H](CCO)N
| Property Value | |
| Mol Name | (r)-3-Amino-1-Butanol |
| Molweight | 89.1373 |
| Monoisotopic Mass | 89.084064 |
| Clogp | -0.4603 |
| Clogs | -0.694 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 80.65 |
| Relative Psa | 0.35177 |
| Polar Surface Area | 46.25 |
| Druglikeness | -5.2412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Shape Index | 0.83333 |
| Molecular Flexibility | 0.68515 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Stereo Centers | 1 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 6 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | C[C@H](CCO)N |
| InChIKey | InChI=1S/C4H11NO/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3/t4-/m1/s1 |
| InChI | AGMZSYQMSHMXLT-SCSAIBSYSA-N |
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1 - (r)-3-Amino-1-Butanol
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1 - (r)-3-Amino-1-Butanol
2 - (r)-3-Amino-1-Butanol
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