Molecule

ID:102028

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₅
Molecular Mass
256.25514
Exact Mass
256.10592162
Charge
0
InChI
InChI=1S/C11H16N2O5/c1-13(18-5)11(14)7-6-8(15-2)10(17-4)12-9(7)16-3/h6H,1-5H3
InChIKey
JHYIVTVMUJLJAO-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)c1cc(OC)c(nc1OC)OC)C
Isomeric Smiles
c1(c(nc(c(c1)OC)OC)OC)C(=O)N(C)OC
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
0.920569
LogD (pH = 7.4)
0.92057
Log P
0.92057
Molar Refractivity
64.1397
Polarizability
24.336237
Polar Surface Area
70.12
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
Molecule Details
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References
Bioactivity
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