Molecule

ID:91084

General Information
Structure
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-2-13-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3
InChIKey
MPAWVDTVWPPKJQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCN1CCCCC1
Isomeric Smiles
N1(CCC(=O)OCC)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.9081744
LogD (pH = 7.4)
-0.2852127
Log P
1.2582337
Molar Refractivity
52.4318
Polarizability
20.710838
Polar Surface Area
29.54
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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