Molecule

ID:37864

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-2-13-10(12)4-3-9-5-7-11-8-6-9/h9,11H,2-8H2,1H3
InChIKey
XHMFMSVBWJZLBF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCC1CCNCC1
Isomeric Smiles
C1NCCC(C1)CCC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2154837
LogD (pH = 7.4)
-1.7591568
Log P
1.0161043
Molar Refractivity
51.7691
Polarizability
20.710838
Polar Surface Area
38.33
Rotatable Bonds
5
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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