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[ CAS No. 375368-80-2 ] {[proInfo.proName]}

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Chemical Structure| 375368-80-2
Chemical Structure| 375368-80-2
Structure of 375368-80-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 375368-80-2 ]

CAS No. :375368-80-2 MDL No. :MFCD03095083
Formula : C7H8FNO Boiling Point : No data available
Linear Structure Formula :- InChI Key :DAQMWRIPXIPMAA-UHFFFAOYSA-N
M.W : 141.14 Pubchem ID :24820319
Synonyms :

Calculated chemistry of [ 375368-80-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.29
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 35.65
TPSA : 22.12 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.98 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.1
Log Po/w (XLOGP3) : 1.66
Log Po/w (WLOGP) : 1.96
Log Po/w (MLOGP) : 1.33
Log Po/w (SILICOS-IT) : 2.2
Consensus Log Po/w : 1.85

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.14
Solubility : 1.03 mg/ml ; 0.00726 mol/l
Class : Soluble
Log S (Ali) : -1.74
Solubility : 2.58 mg/ml ; 0.0183 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.79
Solubility : 0.227 mg/ml ; 0.00161 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.69

Safety of [ 375368-80-2 ]

Signal Word:Warning Class:
Precautionary Statements:P305+P351+P338 UN#:
Hazard Statements:H227-H315-H319-H335 Packing Group:
GHS Pictogram:
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