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[ CAS No. 703-95-7 ] {[proInfo.proName]}

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Chemical Structure| 703-95-7
Chemical Structure| 703-95-7
Structure of 703-95-7 * Storage: {[proInfo.prStorage]}

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Product Details of [ 703-95-7 ]

CAS No. :703-95-7 MDL No. :MFCD00042526
Formula : C5H3FN2O4 Boiling Point : No data available
Linear Structure Formula :- InChI Key :SEHFUALWMUWDKS-UHFFFAOYSA-N
M.W : 174.09 Pubchem ID :69711
Synonyms :
Chemical Name :5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

Calculated chemistry of [ 703-95-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 34.6
TPSA : 103.02 ?2

Pharmacokinetics

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) : -8.02 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.06
Log Po/w (XLOGP3) : -0.93
Log Po/w (WLOGP) : -0.68
Log Po/w (MLOGP) : -0.58
Log Po/w (SILICOS-IT) : 1.12
Consensus Log Po/w : -0.23

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -0.64
Solubility : 40.1 mg/ml ; 0.23 mol/l
Class : Very soluble
Log S (Ali) : -0.75
Solubility : 31.0 mg/ml ; 0.178 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.12
Solubility : 13.3 mg/ml ; 0.0766 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.95

Safety of [ 703-95-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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