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[ CAS No. 202925-10-8 ] {[proInfo.proName]}

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Chemical Structure| 202925-10-8
Chemical Structure| 202925-10-8
Structure of 202925-10-8 * Storage: {[proInfo.prStorage]}

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Product Details of [ 202925-10-8 ]

CAS No. :202925-10-8 MDL No. :MFCD00143292
Formula : C7H6ClFO Boiling Point : No data available
Linear Structure Formula :- InChI Key :JEAFLVNESBTMPU-UHFFFAOYSA-N
M.W : 160.57 Pubchem ID :2773611
Synonyms :

Calculated chemistry of [ 202925-10-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 37.54
TPSA : 20.23 ?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) : -5.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.94
Log Po/w (XLOGP3) : 2.21
Log Po/w (WLOGP) : 2.24
Log Po/w (MLOGP) : 2.57
Log Po/w (SILICOS-IT) : 2.74
Consensus Log Po/w : 2.34

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.61
Solubility : 0.398 mg/ml ; 0.00248 mol/l
Class : Soluble
Log S (Ali) : -2.27
Solubility : 0.864 mg/ml ; 0.00538 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.11
Solubility : 0.124 mg/ml ; 0.000774 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.36

Safety of [ 202925-10-8 ]

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