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[ CAS No. 60186-15-4 ] {[proInfo.proName]}

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Chemical Structure| 60186-15-4
Chemical Structure| 60186-15-4
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Product Details of [ 60186-15-4 ]

CAS No. :60186-15-4 MDL No. :MFCD18802741
Formula : C5H2F2N2O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :OLPMWQXRTRVQRS-UHFFFAOYSA-N
M.W : 160.08 Pubchem ID :12275767
Synonyms :

Calculated chemistry of [ 60186-15-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 32.98
TPSA : 58.71 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.41 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.87
Log Po/w (XLOGP3) : 1.22
Log Po/w (WLOGP) : 2.11
Log Po/w (MLOGP) : 0.95
Log Po/w (SILICOS-IT) : 0.15
Consensus Log Po/w : 1.06

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.94
Solubility : 1.84 mg/ml ; 0.0115 mol/l
Class : Very soluble
Log S (Ali) : -2.05
Solubility : 1.43 mg/ml ; 0.00891 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.95
Solubility : 1.78 mg/ml ; 0.0111 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.21

Safety of [ 60186-15-4 ]

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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