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[ CAS No. 1251017-66-9 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1251017-66-9
Chemical Structure| 1251017-66-9
Chemical Structure| 1251017-66-9
Structure of 1251017-66-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1251017-66-9 ]

CAS No. :1251017-66-9 MDL No. :MFCD17016735
Formula : C10H18N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :FCRTVZBUJDHXNR-UHFFFAOYSA-N
M.W :198.26 Pubchem ID :50986414
Synonyms :

Calculated chemistry of [ 1251017-66-9 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.9
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 61.2
TPSA : 41.57 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) : -7.0 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.52
Log Po/w (XLOGP3) : 0.72
Log Po/w (WLOGP) : 0.21
Log Po/w (MLOGP) : 0.86
Log Po/w (SILICOS-IT) : 0.39
Consensus Log Po/w : 0.94

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.32
Solubility : 9.38 mg/ml ; 0.0473 mol/l
Class : Very soluble
Log S (Ali) : -1.17
Solubility : 13.4 mg/ml ; 0.0674 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.09
Solubility : 16.0 mg/ml ; 0.0809 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.61

Safety of [ 1251017-66-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335-H413 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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