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[ CAS No. 2703756-88-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 2703756-88-9
Chemical Structure| 2703756-88-9
Chemical Structure| 2703756-88-9
Structure of 2703756-88-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2703756-88-9 ]

CAS No. :2703756-88-9 MDL No. :MFCD34186979
Formula : C10H10N2O Boiling Point : -
Linear Structure Formula :- InChI Key :AMVFFNZWOGYSCA-UHFFFAOYSA-N
M.W : 174.20 Pubchem ID :156022541
Synonyms :

Calculated chemistry of [ 2703756-88-9 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.1
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 52.64
TPSA : 48.14 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) : -6.38 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.57
Log Po/w (XLOGP3) : 1.39
Log Po/w (WLOGP) : 1.83
Log Po/w (MLOGP) : 0.61
Log Po/w (SILICOS-IT) : 1.7
Consensus Log Po/w : 1.42

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.3
Solubility : 0.875 mg/ml ; 0.00502 mol/l
Class : Soluble
Log S (Ali) : -2.0
Solubility : 1.72 mg/ml ; 0.0099 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.46
Solubility : 0.0597 mg/ml ; 0.000343 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.54

Safety of [ 2703756-88-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 UN#:N/A
Hazard Statements:H319-H319 Packing Group:N/A
GHS Pictogram:
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