Molecule

ID:23990

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO₅
Molecular Mass
193.1977
Exact Mass
193.09502259
Charge
0
InChI
InChI=1S/C5H13NO.C2H2O4/c1-5(2)7-4-3-6;3-1(4)2(5)6/h5H,3-4,6H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
FBBYBYHKUBGRNW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.NCCOC(C)C
Isomeric Smiles
O(C(C)C)CCN.C(=O)(O)C(=O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8821144
LogD (pH = 7.4)
-1.9061294
Log P
0.1009486
Molar Refractivity
30.1297
Polarizability
12.157154
Polar Surface Area
35.25
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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