Molecule

ID:14480

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChIKey
GHTSPNBSVDWGED-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(C(=O)C1)c1ccccc1
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.1216874
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7123848
LogD (pH = 7.4)
-2.4045038
Log P
0.6806772
Molar Refractivity
53.0181
Polarizability
20.54769
Polar Surface Area
57.61
Rotatable Bonds
2
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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