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[ CAS No. 1391469-10-5 ] {[proInfo.proName]}

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Chemical Structure| 1391469-10-5
Chemical Structure| 1391469-10-5
Structure of 1391469-10-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1391469-10-5 ]

CAS No. :1391469-10-5 MDL No. :MFCD12910637
Formula : C10H13ClFNO Boiling Point : -
Linear Structure Formula :- InChI Key :WMGZVNCXNNRNNF-HNCPQSOCSA-N
M.W : 217.67 Pubchem ID :127255469
Synonyms :

Calculated chemistry of [ 1391469-10-5 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.4
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 58.44
TPSA : 21.26 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.31 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.85
Log Po/w (WLOGP) : 2.0
Log Po/w (MLOGP) : 1.87
Log Po/w (SILICOS-IT) : 2.55
Consensus Log Po/w : 1.65

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.61
Solubility : 0.539 mg/ml ; 0.00248 mol/l
Class : Soluble
Log S (Ali) : -1.92
Solubility : 2.63 mg/ml ; 0.0121 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.35
Solubility : 0.0981 mg/ml ; 0.000451 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.17

Safety of [ 1391469-10-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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