Molecule

ID:52826

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-14-10-5-7-8(6-11(10)15-2)12-4-3-9(7)13/h3-6H,1-2H3,(H,12,13)
InChIKey
QOGPNCUTXVZQSL-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(O)ccnc2cc1OC
Isomeric Smiles
c1(c(cc2c(c1)c(ccn2)O)OC)OC
Calculated Properties
JChem
Acid pKa
10.940702
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.51034
LogD (pH = 7.4)
1.5118483
Log P
1.5119926
Molar Refractivity
54.8866
Polarizability
22.575665
Polar Surface Area
51.58
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
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Molecule Details
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References
Bioactivity
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