Molecule

ID:124698

General Information
Structure
Molecular Formula
C₁₀H₁₂N₂O₆
Molecular Mass
256.21208
Exact Mass
256.06953611
Charge
0
InChI
InChI=1S/C10H12N2O6/c13-7-3-11(4-8(14)17-7)1-2-12-5-9(15)18-10(16)6-12/h1-6H2
InChIKey
POLIXZIAIMAECK-UHFFFAOYSA-N
Canonic Smiles
O=C1CN(CCN2CC(=O)OC(=O)C2)CC(=O)O1
Isomeric Smiles
O1C(=O)CN(CC1=O)CCN1CC(=O)OC(=O)C1
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-1.6154176
LogD (pH = 7.4)
-1.6109658
Log P
-1.6109087
Molar Refractivity
55.9348
Polarizability
22.66995
Polar Surface Area
93.22
Rotatable Bonds
3
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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