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CAS No. : | 3424-98-4 | MDL No. : | MFCD02683612 |
Formula : | C10H14N2O5 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | IQFYYKKMVGJFEH-CSMHCCOUSA-N |
M.W : | 242.23 | Pubchem ID : | 159269 |
Synonyms : |
NV 02B;Epavudine;Tyzeka;LDT 600;β-L-Thymidine;L-Deoxythymidine;2'-deoxy-L-Thymidine;L-Thymidine
|
Num. heavy atoms : | 17 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.6 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 5.0 |
Num. H-bond donors : | 3.0 |
Molar Refractivity : | 58.07 |
TPSA : | 104.55 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) : | -8.61 cm/s |
Log Po/w (iLOGP) : | 1.12 |
Log Po/w (XLOGP3) : | -1.17 |
Log Po/w (WLOGP) : | -1.84 |
Log Po/w (MLOGP) : | -1.15 |
Log Po/w (SILICOS-IT) : | -0.04 |
Consensus Log Po/w : | -0.61 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.73 |
Solubility : | 44.7 mg/ml ; 0.185 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.53 |
Solubility : | 71.1 mg/ml ; 0.293 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -0.45 |
Solubility : | 86.3 mg/ml ; 0.356 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 3.64 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | Packing Group: | N/A |
GHS Pictogram: |