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[ CAS No. 1332370-59-8 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1332370-59-8
Chemical Structure| 1332370-59-8
Chemical Structure| 1332370-59-8
Structure of 1332370-59-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1332370-59-8 ]

CAS No. :1332370-59-8 MDL No. :MFCD27943723
Formula : C8H5FN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :WDZFFJUZWWIPCZ-UHFFFAOYSA-N
M.W : 180.14 Pubchem ID :76846370
Synonyms :

Calculated chemistry of [ 1332370-59-8 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 43.01
TPSA : 65.98 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) : -6.56 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.68
Log Po/w (XLOGP3) : 1.18
Log Po/w (WLOGP) : 1.82
Log Po/w (MLOGP) : 1.15
Log Po/w (SILICOS-IT) : 1.78
Consensus Log Po/w : 1.32

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.85

Water Solubility

Log S (ESOL) : -2.15
Solubility : 1.29 mg/ml ; 0.00714 mol/l
Class : Soluble
Log S (Ali) : -2.16
Solubility : 1.24 mg/ml ; 0.0069 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.56
Solubility : 0.493 mg/ml ; 0.00274 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.58

Safety of [ 1332370-59-8 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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