Molecule

ID:30658

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₄
Molecular Mass
211.21452
Exact Mass
211.0844579
Charge
0
InChI
InChI=1S/C10H13NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h6-7H,1-5H2,(H,12,13)
InChIKey
ZAXZNEUSTGLDHU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)C2C(C1=O)CCCC2
Isomeric Smiles
N1(C(=O)C2C(C1=O)CCCC2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.730906
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.5493749
LogD (pH = 7.4)
-3.0731847
Log P
0.2195718
Molar Refractivity
49.8115
Polarizability
19.625977
Polar Surface Area
74.68
Rotatable Bonds
2
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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