Molecule

ID:75299

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₃
Molecular Mass
206.198
Exact Mass
206.06914219
Charge
0
InChI
InChI=1S/C10H10N2O3/c1-14-8-3-6-7(4-9(8)15-2)12-10(13)5-11-6/h3-5H,1-2H3,(H,12,13)
InChIKey
WXTHNWNCKJAQNU-UHFFFAOYSA-N
Canonic Smiles
COc1cc2nc(O)cnc2cc1OC
Isomeric Smiles
n1c(cnc2cc(c(cc12)OC)OC)O
Calculated Properties
JChem
Acid pKa
12.049079
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.2744612
LogD (pH = 7.4)
1.2746164
Log P
1.274628
Molar Refractivity
52.6712
Polarizability
21.695438
Polar Surface Area
64.47
Rotatable Bonds
2
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
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References
Bioactivity
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