Molecule

ID:118826

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKey
MROJXXOCABQVEF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(cc1)NC(=O)C
Isomeric Smiles
C(=O)(Nc1ccc(CC(=O)O)cc1)C
Calculated Properties
JChem
Acid pKa
4.151875
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.515628
LogD (pH = 7.4)
-2.2169123
Log P
0.84870446
Molar Refractivity
52.2286
Polarizability
19.428493
Polar Surface Area
66.4
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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