Molecule

ID:7180

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₄
Molecular Mass
209.19864
Exact Mass
209.06880784
Charge
0
InChI
InChI=1S/C10H11NO4/c1-2-15-9-5-3-4-8(10(9)12)6-7-11(13)14/h3-7,12H,2H2,1H3/b7-6+
InChIKey
IYDHELOQZJRCML-VOTSOKGWSA-N
Canonic Smiles
CCOc1cccc(c1O)/C=C/[N+](=O)[O-]
Isomeric Smiles
c1cc(c(c(c1)/C=C/[N+](=O)[O-])O)OCC
Calculated Properties
JChem
Acid pKa
8.564189
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0225475
LogD (pH = 7.4)
1.9943444
Log P
2.0229194
Molar Refractivity
55.241
Polarizability
20.749239
Polar Surface Area
75.28
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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