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[ CAS No. 166524-64-7 ] {[proInfo.proName]}

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Chemical Structure| 166524-64-7
Chemical Structure| 166524-64-7
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Product Details of [ 166524-64-7 ]

CAS No. :166524-64-7 MDL No. :MFCD09955584
Formula : C5H7FN4O Boiling Point : -
Linear Structure Formula :- InChI Key :CWCLTMYHVXUXDW-UHFFFAOYSA-N
M.W : 158.13 Pubchem ID :15790245
Synonyms :

Calculated chemistry of [ 166524-64-7 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.2
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 35.69
TPSA : 73.06 Ų

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) : -7.14 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.3
Log Po/w (XLOGP3) : 0.18
Log Po/w (WLOGP) : 0.14
Log Po/w (MLOGP) : -0.05
Log Po/w (SILICOS-IT) : -0.11
Consensus Log Po/w : 0.29

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.21
Solubility : 9.85 mg/ml ; 0.0623 mol/l
Class : Very soluble
Log S (Ali) : -1.27
Solubility : 8.45 mg/ml ; 0.0534 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.74
Solubility : 2.88 mg/ml ; 0.0182 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.25

Safety of [ 166524-64-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338-P310 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
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