Molecule

ID:45707

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c1-8(11(14)15)12-10(13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15)
InChIKey
FDWFFCURSPACFQ-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)NC(=O)Cc1ccccc1
Isomeric Smiles
C(=O)(NC(C(=O)O)C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
4.0202465
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.41557807
LogD (pH = 7.4)
-2.0728667
Log P
1.074475
Molar Refractivity
54.663
Polarizability
21.274513
Polar Surface Area
66.4
Rotatable Bonds
4
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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