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[ CAS No. 197079-26-8 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 197079-26-8
Chemical Structure| 197079-26-8
Chemical Structure| 197079-26-8
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Product Details of [ 197079-26-8 ]

CAS No. :197079-26-8 MDL No. :MFCD08700760
Formula : C7H10N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :UONYZXPIJGYYJC-UHFFFAOYSA-N
M.W : 154.17 Pubchem ID :21784698
Synonyms :

Calculated chemistry of [ 197079-26-8 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.43
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 39.58
TPSA : 44.12 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) : -6.68 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.93
Log Po/w (XLOGP3) : 0.79
Log Po/w (WLOGP) : 0.6
Log Po/w (MLOGP) : 0.33
Log Po/w (SILICOS-IT) : 0.47
Consensus Log Po/w : 0.83

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.43
Solubility : 5.7 mg/ml ; 0.037 mol/l
Class : Very soluble
Log S (Ali) : -1.3
Solubility : 7.77 mg/ml ; 0.0504 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.26
Solubility : 8.41 mg/ml ; 0.0546 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.77

Safety of [ 197079-26-8 ]

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:
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