Molecule

ID:57412

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c12-10-4-2-1-3-9(10)11-5-7-13-8-6-11/h9-10,12H,1-8H2/t9-,10-/m1/s1
InChIKey
VRWZNEVHNNIRKP-NXEZZACHSA-N
Canonic Smiles
O[C@@H]1CCCC[C@H]1N1CCOCC1
Isomeric Smiles
N1([C@H]2[C@H](O)CCCC2)CCOCC1
Calculated Properties
JChem
Acid pKa
14.596413
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7601203
LogD (pH = 7.4)
0.002729625
Log P
0.6960359
Molar Refractivity
51.4383
Polarizability
20.530987
Polar Surface Area
32.7
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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