Molecule
ID:34950
General Information
Molecular Formula
C₇H₁₁NO₃
Molecular Mass
157.16714
Exact Mass
157.07389322
Charge
0
InChI
InChI=1S/C7H11NO3/c1-2-11-7(10)8-4-3-6(9)5-8/h2-5H2,1H3
InChIKey
DQYGBMLEVQLDQC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCC(=O)C1
Isomeric Smiles
N1(C(=O)OCC)CC(=O)CC1
Calculated Properties
JChem
Acid pKa
18.092592
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.13911349
LogD (pH = 7.4)
0.13911349
Log P
0.13911349
Molar Refractivity
38.4075
Polarizability
14.95568
Polar Surface Area
46.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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