Molecule

ID:38717

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₀N₂O₆
Molecular Mass
346.4192
Exact Mass
346.21038669
Charge
0
InChI
InChI=1S/C16H30N2O6/c1-14(2,3)23-12(21)17-10-8-9-16(7,11(19)20)18-13(22)24-15(4,5)6/h8-10H2,1-7H3,(H,17,21)(H,18,22)(H,19,20)
InChIKey
LYVBDMQVKANIFJ-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCCCC(C(=O)O)(NC(=O)OC(C)(C)C)C
Isomeric Smiles
C(C(C)(C(=O)O)NC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.6008132
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.36720654
LogD (pH = 7.4)
-1.0809758
Log P
2.26178
Molar Refractivity
87.6678
Polarizability
34.630604
Polar Surface Area
113.96
Rotatable Bonds
10
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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