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[ CAS No. 73873-91-3 ]

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3d Animation Molecule Structure of 73873-91-3
Chemical Structure| 73873-91-3
Chemical Structure| 73873-91-3
Structure of 73873-91-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 73873-91-3 ]

CAS No. :73873-91-3 MDL No. :MFCD16987426
Formula : C10H8N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :ZWKORIJRNJCIJA-UHFFFAOYSA-N
M.W :188.18 Pubchem ID :45089187
Synonyms :

Calculated chemistry of [ 73873-91-3 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 53.11
TPSA : 76.21 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.62 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.95
Log Po/w (XLOGP3) : 1.16
Log Po/w (WLOGP) : 1.52
Log Po/w (MLOGP) : 0.76
Log Po/w (SILICOS-IT) : 1.08
Consensus Log Po/w : 1.09

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.2
Solubility : 1.19 mg/ml ; 0.00631 mol/l
Class : Soluble
Log S (Ali) : -2.36
Solubility : 0.83 mg/ml ; 0.00441 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.72
Solubility : 0.361 mg/ml ; 0.00192 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.27

Safety of [ 73873-91-3 ]

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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