Molecule

ID:51185

General Information
Structure
Molecular Formula
C₁₀H₁₁NO₄
Molecular Mass
209.19864
Exact Mass
209.06880784
Charge
0
InChI
InChI=1S/C10H11NO4/c1-11(2)10(14)15-8-5-3-4-7(6-8)9(12)13/h3-6H,1-2H3,(H,12,13)
InChIKey
SOWNAPGQSBRAQW-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C)C)Oc1cccc(c1)C(=O)O
Isomeric Smiles
C(=O)(Oc1cc(C(=O)O)ccc1)N(C)C
Calculated Properties
JChem
Acid pKa
3.809155
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.34145755
LogD (pH = 7.4)
-1.9062581
Log P
1.3518963
Molar Refractivity
52.9167
Polarizability
20.130285
Polar Surface Area
66.84
Rotatable Bonds
3
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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