Molecule

ID:61820

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂O₄
Molecular Mass
258.31408
Exact Mass
258.15795719
Charge
0
InChI
InChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-7-5-12(13,6-8-14)9(15)17-4/h5-8,13H2,1-4H3
InChIKey
MMPCQLBEECGPAP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1(N)CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CCC(CC1)(C(=O)OC)N)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.571241
LogD (pH = 7.4)
-0.07390464
Log P
0.1535169
Molar Refractivity
65.9638
Polarizability
26.354218
Polar Surface Area
81.86
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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