Molecule

ID:51130

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₅
Molecular Mass
234.24962
Exact Mass
234.12157169
Charge
0
InChI
InChI=1S/C7H16N2O.C2H2O4/c1-9(2)7(10)5-3-4-6-8;3-1(4)2(5)6/h3-6,8H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
BVOSXDAPTCFIJH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.NCCCCC(=O)N(C)C
Isomeric Smiles
C(=O)(C(=O)O)O.C(=O)(N(C)C)CCCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.5518968
LogD (pH = 7.4)
-2.930501
Log P
-0.53682345
Molar Refractivity
41.6744
Polarizability
16.35698
Polar Surface Area
46.33
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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