Molecule

ID:10931

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₄
Molecular Mass
211.21452
Exact Mass
211.0844579
Charge
0
InChI
InChI=1S/C10H13NO4/c12-10(13)9-2-1-8(15-9)7-11-3-5-14-6-4-11/h1-2H,3-7H2,(H,12,13)
InChIKey
NTMWPNLDMTVPBO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)CN1CCOCC1
Isomeric Smiles
c1(oc(cc1)CN1CCOCC1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.6628172
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3075612
LogD (pH = 7.4)
-3.026553
Log P
-2.2563953
Molar Refractivity
53.1998
Polarizability
20.309675
Polar Surface Area
62.91
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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