Molecule

ID:83165

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₆
Molecular Mass
289.32482
Exact Mass
289.15253746
Charge
0
InChI
InChI=1S/C11H21NO2.C2H2O4/c1-11(2)7-13-10(14-8-11)9-3-5-12-6-4-9;3-1(4)2(5)6/h9-10,12H,3-8H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
VIVKYBWHPORZOA-UHFFFAOYSA-N
Canonic Smiles
CC1(C)COC(OC1)C1CCNCC1.OC(=O)C(=O)O
Isomeric Smiles
O1CC(C)(C)COC1C1CCNCC1.O=C(C(=O)O)O
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9776456
LogD (pH = 7.4)
-1.5114872
Log P
1.2535702
Molar Refractivity
55.4789
Polarizability
22.442715
Polar Surface Area
30.49
Rotatable Bonds
2
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
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References
Bioactivity
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