Molecule

ID:130937

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₆
Molecular Mass
312.3184
Exact Mass
312.13213637
Charge
0
InChI
InChI=1S/C14H20N2O6/c1-14(2,3)21-13(20)15-8-4-5-9(15)12(19)22-16-10(17)6-7-11(16)18/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKey
DICWIJISMKZDDY-SECBINFHSA-N
Canonic Smiles
O=C([C@H]1CCCN1C(=O)OC(C)(C)C)ON1C(=O)CCC1=O
Isomeric Smiles
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)ON1C(=O)CCC1=O
Calculated Properties
JChem
Acid pKa
17.704498
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.55563706
LogD (pH = 7.4)
0.55563706
Log P
0.55563706
Molar Refractivity
73.6132
Polarizability
29.208527
Polar Surface Area
93.22
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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