Molecule

ID:18029

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₃O₂
Molecular Mass
213.27676
Exact Mass
213.14772686
Charge
0
InChI
InChI=1S/C10H19N3O2/c11-9(14)10(1-3-12-4-2-10)13-5-7-15-8-6-13/h12H,1-8H2,(H2,11,14)
InChIKey
OEDOITYEASREQH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1(CCNCC1)N1CCOCC1
Isomeric Smiles
C1(N2CCOCC2)(C(=O)N)CCNCC1
Calculated Properties
JChem
Acid pKa
16.150764
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.8053174
LogD (pH = 7.4)
-4.0095916
Log P
-1.485385
Molar Refractivity
57.1656
Polarizability
22.662224
Polar Surface Area
67.59
Rotatable Bonds
2
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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