Molecule
ID:59271
General Information
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-9(8-10(12)13-2)11-6-4-3-5-7-11/h9H,3-8H2,1-2H3
InChIKey
RFKOTZLJKQYWFL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(N1CCCCC1)C
Isomeric Smiles
C(C(=O)OC)C(N1CCCCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.0258946
LogD (pH = 7.4)
-0.63498366
Log P
1.3180007
Molar Refractivity
52.102
Polarizability
20.710838
Polar Surface Area
29.54
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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