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[ CAS No. 34083-55-1 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 34083-55-1
Chemical Structure| 34083-55-1
Chemical Structure| 34083-55-1
Structure of 34083-55-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 34083-55-1 ]

CAS No. :34083-55-1 MDL No. :MFCD20483795
Formula : C10H12O2 Boiling Point : -
Linear Structure Formula :- InChI Key :DZIQUZJSNSZOCH-MRVPVSSYSA-N
M.W : 164.20 Pubchem ID :10866667
Synonyms :

Calculated chemistry of [ 34083-55-1 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.3
Num. rotatable bonds : 3
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.11
TPSA : 26.3 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) : -5.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.22
Log Po/w (XLOGP3) : 2.54
Log Po/w (WLOGP) : 1.96
Log Po/w (MLOGP) : 2.29
Log Po/w (SILICOS-IT) : 2.21
Consensus Log Po/w : 2.24

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.63
Solubility : 0.385 mg/ml ; 0.00234 mol/l
Class : Soluble
Log S (Ali) : -2.74
Solubility : 0.299 mg/ml ; 0.00182 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.9
Solubility : 0.207 mg/ml ; 0.00126 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.72

Safety of [ 34083-55-1 ]

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