Molecule

ID:37684

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c1-2-7-5-3-4-6-8(7)11-9(12)10(13)14/h3-6H,2H2,1H3,(H,11,12)(H,13,14)
InChIKey
WDZMNPJDVPTESD-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1NC(=O)C(=O)O
Isomeric Smiles
C(=O)(Nc1c(CC)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0004828
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.3370064
LogD (pH = 7.4)
-1.346435
Log P
2.1285403
Molar Refractivity
52.3581
Polarizability
19.35707
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
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Molecule Details
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References
Bioactivity
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