Molecule

ID:34740

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-2-14-11(13)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2,12H2,1H3
InChIKey
PWOARNMOPCOJEV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1oc2c(c1N)cccc2
Isomeric Smiles
c1(c(c2c(o1)cccc2)N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
19.324547
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2337294
LogD (pH = 7.4)
2.2337294
Log P
2.2337294
Molar Refractivity
56.2509
Polarizability
22.113747
Polar Surface Area
65.46
Rotatable Bonds
3
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
References
Bioactivity
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