Molecule

ID:62208

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₅
Molecular Mass
310.34558
Exact Mass
310.15287181
Charge
0
InChI
InChI=1S/C15H22N2O5/c1-15(2,3)21-14(19)17-7-5-10(6-8-17)11-9-12(22-16-11)13(18)20-4/h9-10H,5-8H2,1-4H3
InChIKey
IDUYXUBYRNBTGM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1onc(c1)C1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
c1(cc(no1)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7794104
LogD (pH = 7.4)
1.7794104
Log P
1.7794104
Molar Refractivity
79.421
Polarizability
30.442846
Polar Surface Area
81.87
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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