Molecule

ID:34230

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c14-10-6-8(7-11(15)16)12-13(10)9-4-2-1-3-5-9/h1-6,14H,7H2,(H,15,16)
InChIKey
LCWPVTQTTKVOMV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1nn(c(c1)O)c1ccccc1
Isomeric Smiles
n1(c(cc(n1)CC(=O)O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.8334768
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.15990765
LogD (pH = 7.4)
-2.2084138
Log P
1.8683887
Molar Refractivity
56.5895
Polarizability
22.217133
Polar Surface Area
75.35
Rotatable Bonds
3
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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