Molecule

ID:21582

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₃
Molecular Mass
214.26152
Exact Mass
214.13174245
Charge
0
InChI
InChI=1S/C10H18N2O3/c1-7(2)6-15-9(13)5-8-10(14)12-4-3-11-8/h7-8,11H,3-6H2,1-2H3,(H,12,14)
InChIKey
BROIIRIOIQDJFJ-UHFFFAOYSA-N
Canonic Smiles
CC(COC(=O)CC1NCCNC1=O)C
Isomeric Smiles
C1(=O)C(CC(=O)OCC(C)C)NCCN1
Calculated Properties
JChem
Acid pKa
14.232625
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.8525057
LogD (pH = 7.4)
-0.17398524
Log P
-0.1525371
Molar Refractivity
54.5705
Polarizability
21.962282
Polar Surface Area
67.43
Rotatable Bonds
5
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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