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[ CAS No. 1375065-02-3 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1375065-02-3
Chemical Structure| 1375065-02-3
Chemical Structure| 1375065-02-3
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Product Details of [ 1375065-02-3 ]

CAS No. :1375065-02-3 MDL No. :MFCD12025441
Formula : C6H3Cl3N2O Boiling Point : -
Linear Structure Formula :- InChI Key :WSYWQFNIYCGPFK-UHFFFAOYSA-N
M.W : 225.46 Pubchem ID :21219653
Synonyms :

Calculated chemistry of [ 1375065-02-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.26
TPSA : 42.85 Ų

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) : 1.79
Log Po/w (XLOGP3) : 2.77
Log Po/w (WLOGP) : 2.64
Log Po/w (MLOGP) : 1.11
Log Po/w (SILICOS-IT) : 3.15
Consensus Log Po/w : 2.29

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.29
Solubility : 0.116 mg/ml ; 0.000516 mol/l
Class : Soluble
Log S (Ali) : -3.33
Solubility : 0.107 mg/ml ; 0.000473 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.84
Solubility : 0.0323 mg/ml ; 0.000143 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.82

Safety of [ 1375065-02-3 ]

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