Molecule
ID:34503
General Information
Molecular Formula
C₉H₁₇NO₃
Molecular Mass
187.23618
Exact Mass
187.12084341
Charge
0
InChI
InChI=1S/C9H17NO3/c1-3-13-9(11)8(2)10-4-6-12-7-5-10/h8H,3-7H2,1-2H3
InChIKey
MYHDUJKDRGLQBN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(N1CCOCC1)C
Isomeric Smiles
N1(C(C(=O)OCC)C)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.35821232
LogD (pH = 7.4)
0.5186368
Log P
0.5211186
Molar Refractivity
49.1588
Polarizability
19.587364
Polar Surface Area
38.77
Rotatable Bonds
4
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
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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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