Molecule

ID:38081

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
InChIKey
CWXYHOHYCJXYFQ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)NCCC(=O)O
Isomeric Smiles
C(=O)(c1ccccc1)NCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.114758
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.6371135
LogD (pH = 7.4)
-2.3270493
Log P
0.7625582
Molar Refractivity
50.8171
Polarizability
19.23438
Polar Surface Area
66.4
Rotatable Bonds
4
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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