Molecule

ID:54769

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO₃
Molecular Mass
183.20442
Exact Mass
183.08954328
Charge
0
InChI
InChI=1S/C9H13NO3/c1-13-9(12)7-8(11)6-2-4-10(7)5-3-6/h6-7H,2-5H2,1H3
InChIKey
PUPPFEWYXWPJHY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1N2CCC(C1=O)CC2
Isomeric Smiles
C1CN2C(C(=O)C1CC2)C(=O)OC
Calculated Properties
JChem
Acid pKa
10.70936
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6615421
LogD (pH = 7.4)
0.6674758
Log P
0.43444675
Molar Refractivity
46.1112
Polarizability
18.26324
Polar Surface Area
46.61
Rotatable Bonds
2
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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