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[ CAS No. 1260664-99-0 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1260664-99-0
Chemical Structure| 1260664-99-0
Chemical Structure| 1260664-99-0
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Product Details of [ 1260664-99-0 ]

CAS No. :1260664-99-0 MDL No. :MFCD18249914
Formula : C10H10FNO Boiling Point : -
Linear Structure Formula :- InChI Key :SGSJCSZZWGBCAQ-UHFFFAOYSA-N
M.W : 179.19 Pubchem ID :53016786
Synonyms :

Calculated chemistry of [ 1260664-99-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.3
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 46.46
TPSA : 43.09 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) : 1.81
Log Po/w (XLOGP3) : 1.18
Log Po/w (WLOGP) : 1.7
Log Po/w (MLOGP) : 1.9
Log Po/w (SILICOS-IT) : 2.41
Consensus Log Po/w : 1.8

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.9
Solubility : 2.24 mg/ml ; 0.0125 mol/l
Class : Very soluble
Log S (Ali) : -1.68
Solubility : 3.74 mg/ml ; 0.0209 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.08
Solubility : 0.148 mg/ml ; 0.000826 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.43

Safety of [ 1260664-99-0 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:
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