Molecule

ID:56253

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₃
Molecular Mass
173.2096
Exact Mass
173.10519335
Charge
0
InChI
InChI=1S/C8H15NO3/c1-2-12-7(11)9-5-8(6-10)3-4-8/h10H,2-6H2,1H3,(H,9,11)
InChIKey
BEXZQWIDJPDTRN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NCC1(CO)CC1
Isomeric Smiles
O(C(=O)NCC1(CC1)CO)CC
Calculated Properties
JChem
Acid pKa
14.885558
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.047293793
LogD (pH = 7.4)
0.047293782
Log P
0.047293793
Molar Refractivity
43.8496
Polarizability
17.315302
Polar Surface Area
58.56
Rotatable Bonds
5
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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