Molecule

ID:79997

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-2-8-11(14)12-10(13)7-5-3-4-6-9(7)15-8/h3-6,8H,2H2,1H3,(H,12,13,14)
InChIKey
FOYZYIYDHVWEDP-UHFFFAOYSA-N
Canonic Smiles
CCC1Oc2ccccc2C(=O)NC1=O
Isomeric Smiles
N1C(=O)c2ccccc2OC(C1=O)CC
Calculated Properties
JChem
Acid pKa
-8.318776
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3835115
LogD (pH = 7.4)
0.82598823
Log P
1.4474388
Molar Refractivity
53.6243
Polarizability
20.578836
Polar Surface Area
55.4
Rotatable Bonds
1
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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