Molecule

ID:115904

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃O₂
Molecular Mass
185.2236
Exact Mass
185.11642674
Charge
0
InChI
InChI=1S/C8H15N3O2/c1-7(12)11-4-2-10(3-5-11)6-8(9)13/h2-6H2,1H3,(H2,9,13)
InChIKey
OYIXAPYHCYPDON-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CN1CCN(CC1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CCN(CC(=O)N)CC1
Calculated Properties
JChem
Acid pKa
16.153313
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4221768
LogD (pH = 7.4)
-2.071706
Log P
-2.064776
Molar Refractivity
48.2162
Polarizability
18.72639
Polar Surface Area
66.64
Rotatable Bonds
2
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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