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[ CAS No. 1260663-68-0 ] {[proInfo.proName]}

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Chemical Structure| 1260663-68-0
Chemical Structure| 1260663-68-0
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Product Details of [ 1260663-68-0 ]

CAS No. :1260663-68-0 MDL No. :MFCD18250527
Formula : C5H4ClN3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :QSLXZTVOEMVHSL-UHFFFAOYSA-N
M.W : 173.56 Pubchem ID :53418769
Synonyms :

Calculated chemistry of [ 1260663-68-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 38.41
TPSA : 89.1 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) : -6.78 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.63
Log Po/w (XLOGP3) : 0.81
Log Po/w (WLOGP) : 0.42
Log Po/w (MLOGP) : -0.76
Log Po/w (SILICOS-IT) : 0.28
Consensus Log Po/w : 0.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.76
Solubility : 2.99 mg/ml ; 0.0172 mol/l
Class : Very soluble
Log S (Ali) : -2.26
Solubility : 0.948 mg/ml ; 0.00546 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.28
Solubility : 9.13 mg/ml ; 0.0526 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.01

Safety of [ 1260663-68-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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