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CAS No. : | 2041-14-7 | MDL No. : | MFCD00008182 |
Formula : | C2H8NO3P | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 125.06 | Pubchem ID : | - |
Synonyms : |
2-Aminoethylphosphonic acid;2-AEP
|
Num. heavy atoms : | 7 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 3.0 |
Molar Refractivity : | 25.42 |
TPSA : | 93.36 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -10.49 cm/s |
Log Po/w (iLOGP) : | -0.15 |
Log Po/w (XLOGP3) : | -4.82 |
Log Po/w (WLOGP) : | -0.88 |
Log Po/w (MLOGP) : | -1.81 |
Log Po/w (SILICOS-IT) : | -1.44 |
Consensus Log Po/w : | -1.82 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 3.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | 2.55 |
Solubility : | 44700.0 mg/ml ; 357.0 mol/l |
Class : | Highly soluble |
Log S (Ali) : | 3.49 |
Solubility : | 386000.0 mg/ml ; 3090.0 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | 0.84 |
Solubility : | 873.0 mg/ml ; 6.98 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 3.26 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.