Molecule

ID:60181

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₈
Molecular Mass
325.2708
Exact Mass
325.07976645
Charge
0
InChI
InChI=1S/C14H15NO8/c1-8(16)21-6-11-4-13(15(19)20)5-12(7-22-9(2)17)14(11)23-10(3)18/h4-5H,6-7H2,1-3H3
InChIKey
OTONBRJUYFCXLE-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1c(COC(=O)C)cc(cc1COC(=O)C)[N+](=O)[O-]
Isomeric Smiles
c1(cc(cc(c1OC(=O)C)COC(=O)C)[N+](=O)[O-])COC(=O)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.8680423
LogD (pH = 7.4)
0.8680423
Log P
0.8680423
Molar Refractivity
76.4499
Polarizability
29.426926
Polar Surface Area
124.72
Rotatable Bonds
9
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
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References
Bioactivity
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