Molecule

ID:66004

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆Cl₂N₄O
Molecular Mass
291.17694
Exact Mass
290.07011651
Charge
0
InChI
InChI=1S/C11H14N4O.2ClH/c16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8;;/h1-2,5,8,12H,3-4,6-7H2,(H,13,14,16);2*1H
InChIKey
OHUCGNJZMRINKX-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]c2c(n1C1CCNCC1)cccn2.Cl.Cl
Isomeric Smiles
c1(=O)[nH]c2c(n1C1CCNCC1)cccn2.Cl.Cl
Calculated Properties
JChem
Acid pKa
10.7334
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.9901366
LogD (pH = 7.4)
-2.0676048
Log P
-0.049747568
Molar Refractivity
61.4237
Polarizability
22.881538
Polar Surface Area
57.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
Navigation
CAS 781649-84-1|1-(piperidin-4-yl)-1H,2H,3H-imidazo[4,5-b]pyridin-2-one dihydrochloride|1-(Piperidin-4-yl)-1H,2H,3H-imidazo-[4,5-b]pyridin-2-one dihydrochloride|1-(piperidin-4-yl)-3H-imidazo[4,5-b]p... | Molfinder