Molecule

ID:132615

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₉
Molecular Mass
357.31266
Exact Mass
357.10598119
Charge
0
InChI
InChI=1S/C15H19NO9/c1-23-10-6-8(4-5-16(21)22)2-3-9(10)24-15-14(20)13(19)12(18)11(7-17)25-15/h2-6,11-15,17-20H,7H2,1H3/b5-4-
InChIKey
VLHYYNTWHBRKNT-PLNGDYQASA-N
Canonic Smiles
OCC1OC(Oc2ccc(cc2OC)/C=C\[N+](=O)[O-])C(C(C1O)O)O
Isomeric Smiles
COc1cc(ccc1OC1C(C(C(C(O1)CO)O)O)O)/C=C\[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
12.200015
H Acceptors
9
H Donor
4
LogD (pH = 5.5)
-0.6019568
LogD (pH = 7.4)
-0.6019635
Log P
-0.60195667
Molar Refractivity
82.6368
Polarizability
32.68902
Polar Surface Area
154.43
Rotatable Bonds
6
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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