Molecule

ID:30662

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄O₂
Molecular Mass
220.22788
Exact Mass
220.09602564
Charge
0
InChI
InChI=1S/C10H12N4O2/c11-7-1-2-8(10-9(7)12-16-13-10)14-3-5-15-6-4-14/h1-2H,3-6,11H2
InChIKey
LWCSTSZSZFUHAT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c2c1non2)N1CCOCC1
Isomeric Smiles
c12c(non2)c(ccc1N1CCOCC1)N
Calculated Properties
JChem
Acid pKa
18.573015
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.3838376
LogD (pH = 7.4)
0.38388535
Log P
0.38388595
Molar Refractivity
60.3383
Polarizability
22.58422
Polar Surface Area
77.41
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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