Molecule

ID:8403

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₄
Molecular Mass
209.19864
Exact Mass
209.06880784
Charge
0
InChI
InChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3/b6-5+
InChIKey
SYJMYDMKPSZMSB-AATRIKPKSA-N
Canonic Smiles
COc1cc(ccc1OC)/C=C/[N+](=O)[O-]
Isomeric Smiles
c1(c(ccc(c1)/C=C/[N+](=O)[O-])OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8213055
LogD (pH = 7.4)
1.8213055
Log P
1.8213055
Molar Refractivity
53.9705
Polarizability
20.816
Polar Surface Area
61.6
Rotatable Bonds
4
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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