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[ CAS No. 1212202-62-4 ] {[proInfo.proName]}

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Chemical Structure| 1212202-62-4
Chemical Structure| 1212202-62-4
Structure of 1212202-62-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1212202-62-4 ]

CAS No. :1212202-62-4 MDL No. :MFCD12913202
Formula : C12Cl8O Boiling Point : -
Linear Structure Formula :- InChI Key :JAECXGZNWPVNEU-FJXQXJEOSA-N
M.W : 235.73 Pubchem ID :45792110
Synonyms :

Calculated chemistry of [ 1212202-62-4 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 58.98
TPSA : 68.54 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) : -6.87 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.22
Log Po/w (WLOGP) : 2.67
Log Po/w (MLOGP) : 1.59
Log Po/w (SILICOS-IT) : 0.9
Consensus Log Po/w : 1.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.26
Solubility : 1.31 mg/ml ; 0.00556 mol/l
Class : Soluble
Log S (Ali) : -2.26
Solubility : 1.31 mg/ml ; 0.00554 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.79
Solubility : 0.381 mg/ml ; 0.00162 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.05

Safety of [ 1212202-62-4 ]

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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