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[ CAS No. 14167-18-1 ] {[proInfo.proName]}

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Chemical Structure| 14167-18-1
Chemical Structure| 14167-18-1
Structure of 14167-18-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 14167-18-1 ]

CAS No. :14167-18-1 MDL No. :MFCD00000009
Formula : C16H16CoN2O2 Boiling Point : -
Linear Structure Formula :OC6H4CHNCH2CH2NCHC6H4OCo InChI Key :-
M.W : 327.24 Pubchem ID :-
Synonyms :
Chemical Name :N,N'-Ethylenebis(salicylideneiminato)cobalt(II)

Calculated chemistry of [ 14167-18-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.12
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 84.6
TPSA : 58.86 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.27
Log Po/w (WLOGP) : 2.15
Log Po/w (MLOGP) : 1.17
Log Po/w (SILICOS-IT) : -0.24
Consensus Log Po/w : 1.07

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.71
Solubility : 0.0635 mg/ml ; 0.000195 mol/l
Class : Soluble
Log S (Ali) : -3.14
Solubility : 0.234 mg/ml ; 0.00072 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.31
Solubility : 0.00159 mg/ml ; 0.00000488 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 4.63

Safety of [ 14167-18-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P501-P202-P201-P264-P280-P308+P313-P337+P313-P305+P351+P338-P332+P313-P405 UN#:N/A
Hazard Statements:H315-H319-H351 Packing Group:N/A
GHS Pictogram:
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