Molecule

ID:118527

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKey
UZABMBWHKURXMU-UHFFFAOYSA-N
Canonic Smiles
C=CCCCNC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(OC(C)(C)C)NCCCC=C
Calculated Properties
JChem
Acid pKa
16.151627
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.331118
LogD (pH = 7.4)
2.331118
Log P
2.331118
Molar Refractivity
53.3105
Polarizability
20.806477
Polar Surface Area
38.33
Rotatable Bonds
6
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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