Molecule

ID:231

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₃
Molecular Mass
143.14056
Exact Mass
143.05824315
Charge
0
InChI
InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3
InChIKey
IRYJRGCIQBGHIV-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(C(=O)N1C)(C)C
Isomeric Smiles
O1C(C(=O)N(C1=O)C)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.50
LogD (pH = 5.5)
0.50
Log P
0.50
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Polar Surface Area
46.61
Polarizability
13.59
Molar Refractivity
33.20
LOG S
-1.11
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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