Molecule

ID:136366

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₇
Molecular Mass
263.24448
Exact Mass
263.10050189
Charge
0
InChI
InChI=1S/C8H15NO3.C2H2O4/c1-2-12-7(10)3-8(4-9)5-11-6-8;3-1(4)2(5)6/h2-6,9H2,1H3;(H,3,4)(H,5,6)
InChIKey
XNCQEIAVFDGDQA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.CCOC(=O)CC1(CN)COC1
Isomeric Smiles
CCOC(=O)CC1(COC1)CN.C(=O)(C(=O)O)O
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7835975
LogD (pH = 7.4)
-3.0471869
Log P
-0.7759647
Molar Refractivity
43.8845
Polarizability
17.755844
Polar Surface Area
61.55
Rotatable Bonds
6
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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