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[ CAS No. 1260670-18-5 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1260670-18-5
Chemical Structure| 1260670-18-5
Chemical Structure| 1260670-18-5
Structure of 1260670-18-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1260670-18-5 ]

CAS No. :1260670-18-5 MDL No. :MFCD18251059
Formula : C6H10O3 Boiling Point : -
Linear Structure Formula :- InChI Key :SNJQLBQMKLNJPR-UHFFFAOYSA-N
M.W : 130.14 Pubchem ID :71463637
Synonyms :

Calculated chemistry of [ 1260670-18-5 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 30.95
TPSA : 35.53 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) : -7.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.75
Log Po/w (XLOGP3) : 0.07
Log Po/w (WLOGP) : 0.2
Log Po/w (MLOGP) : 0.0
Log Po/w (SILICOS-IT) : 1.08
Consensus Log Po/w : 0.62

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.56
Solubility : 35.9 mg/ml ; 0.276 mol/l
Class : Very soluble
Log S (Ali) : -0.37
Solubility : 55.5 mg/ml ; 0.427 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.87
Solubility : 17.7 mg/ml ; 0.136 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.48

Safety of [ 1260670-18-5 ]

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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