Molecule

ID:21573

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O₃
Molecular Mass
240.2988
Exact Mass
240.14739251
Charge
0
InChI
InChI=1S/C12H20N2O3/c15-11(17-9-4-2-1-3-5-9)8-10-12(16)14-7-6-13-10/h9-10,13H,1-8H2,(H,14,16)
InChIKey
PMWYCHQEJICOSL-UHFFFAOYSA-N
Canonic Smiles
O=C(CC1NCCNC1=O)OC1CCCCC1
Isomeric Smiles
C1(=O)C(CC(=O)OC2CCCCC2)NCCN1
Calculated Properties
JChem
Acid pKa
14.218615
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.29753205
LogD (pH = 7.4)
0.38098276
Log P
0.40243027
Molar Refractivity
61.8405
Polarizability
24.909945
Polar Surface Area
67.43
Rotatable Bonds
4
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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