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[ CAS No. 73027-77-7 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 73027-77-7
Chemical Structure| 73027-77-7
Chemical Structure| 73027-77-7
Structure of 73027-77-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 73027-77-7 ]

CAS No. :73027-77-7 MDL No. :MFCD01859729
Formula : C6H3Br2NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :GHQFPXZHIYMGLM-UHFFFAOYSA-N
M.W : 280.90 Pubchem ID :57336659
Synonyms :

Calculated chemistry of [ 73027-77-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 46.6
TPSA : 50.19 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) : -6.53 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.37
Log Po/w (XLOGP3) : 2.09
Log Po/w (WLOGP) : 2.3
Log Po/w (MLOGP) : 0.41
Log Po/w (SILICOS-IT) : 2.12
Consensus Log Po/w : 1.66

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -3.24
Solubility : 0.163 mg/ml ; 0.000581 mol/l
Class : Soluble
Log S (Ali) : -2.77
Solubility : 0.473 mg/ml ; 0.00168 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.1
Solubility : 0.223 mg/ml ; 0.000794 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.76

Safety of [ 73027-77-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
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