Molecule

ID:15152

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₄O₂
Molecular Mass
210.23306
Exact Mass
210.11167571
Charge
0
InChI
InChI=1S/C9H14N4O2/c1-12-8(7(10)6-11-12)9(14)13-2-4-15-5-3-13/h6H,2-5,10H2,1H3
InChIKey
QMJQPCQHYNXXGD-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(N)cnn1C)N1CCOCC1
Isomeric Smiles
c1(cnn(c1C(=O)N1CCOCC1)C)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.77833056
LogD (pH = 7.4)
-0.77832705
Log P
-0.778327
Molar Refractivity
67.4856
Polarizability
20.295776
Polar Surface Area
73.38
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
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Molecule Details
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References
Bioactivity
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