Molecule

ID:114638

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₃
Molecular Mass
199.24688
Exact Mass
199.12084341
Charge
0
InChI
InChI=1S/C10H17NO3/c1-8-3-4-9(2)11(8)10(5-12,6-13-8)7-14-9/h12H,3-7H2,1-2H3
InChIKey
WOKUYHJTKOEMBG-UHFFFAOYSA-N
Canonic Smiles
OCC12COC3(N2C(OC1)(C)CC3)C
Isomeric Smiles
N12C3(COC2(CCC1(OC3)C)C)CO
Calculated Properties
JChem
Acid pKa
14.617823
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.13461147
LogD (pH = 7.4)
0.14277337
Log P
0.14287846
Molar Refractivity
51.2698
Polarizability
20.528624
Polar Surface Area
41.93
Rotatable Bonds
1
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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