Molecule

ID:119155

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-6(11(15)16)9-7-4-2-3-5-8(7)10(14)13-12-9/h2-6H,1H3,(H,13,14)(H,15,16)/t6-/m0/s1
InChIKey
AACAKXDXYHEHDJ-LURJTMIESA-N
Canonic Smiles
OC(=O)[C@H](c1nnc(c2c1cccc2)O)C
Isomeric Smiles
c1(nnc(c2c1cccc2)O)[C@@H](C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.72578
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.15724535
LogD (pH = 7.4)
-1.7995111
Log P
1.6227573
Molar Refractivity
58.0191
Polarizability
22.700562
Polar Surface Area
83.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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