Molecule

ID:58983

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₆
Molecular Mass
278.30218
Exact Mass
278.14778643
Charge
0
InChI
InChI=1S/C11H22N2O6/c1-10(2,3)18-8(14)12-16-7-17-13-9(15)19-11(4,5)6/h7H2,1-6H3,(H,12,14)(H,13,15)
InChIKey
HNMCPWCRLOECKM-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NOCONC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(OC(C)(C)C)NOCONC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
8.486258
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.9736619
LogD (pH = 7.4)
1.9435344
Log P
1.9740589
Molar Refractivity
65.1245
Polarizability
26.36265
Polar Surface Area
95.12
Rotatable Bonds
8
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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