Molecule

ID:76920

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,8H,4,7,9H2,(H,12,14)
InChIKey
PQMOZOQTXKMYSK-UHFFFAOYSA-N
Canonic Smiles
O=CCCNC(=O)OCc1ccccc1
Isomeric Smiles
O(Cc1ccccc1)C(=O)NCCC=O
Calculated Properties
JChem
Acid pKa
13.992993
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0935317
LogD (pH = 7.4)
1.0935317
Log P
1.0935317
Molar Refractivity
55.4574
Polarizability
21.518803
Polar Surface Area
55.4
Rotatable Bonds
6
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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