Molecule

ID:75063

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₅
Molecular Mass
259.29884
Exact Mass
259.14197278
Charge
0
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-8(9(14)16-6)7-17-12(13,4)5/h8H,7H2,1-6H3/t8-/m0/s1
InChIKey
ZNBUXTFASGDVCL-QMMMGPOBSA-N
Canonic Smiles
COC(=O)[C@@H]1COC(N1C(=O)OC(C)(C)C)(C)C
Isomeric Smiles
O=C([C@H]1N(C(=O)OC(C)(C)C)C(C)(C)OC1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2953444
LogD (pH = 7.4)
1.2953444
Log P
1.2953444
Molar Refractivity
64.0356
Polarizability
25.56365
Polar Surface Area
65.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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