Molecule

ID:33097

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₃
Molecular Mass
216.2774
Exact Mass
216.14739251
Charge
0
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-7-8-6-11-4-5-14-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKey
IYHJNCQAADULQE-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCC1OCCNC1
Isomeric Smiles
C(=O)(NCC1OCCNC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.710619
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.3578286
LogD (pH = 7.4)
-0.64863986
Log P
0.34350172
Molar Refractivity
56.2609
Polarizability
22.572815
Polar Surface Area
59.59
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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