Molecule

ID:24367

General Information
Structure
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-13-10(12)7-8-11-9-5-3-2-4-6-9/h9,11H,2-8H2,1H3
InChIKey
CWBUBKYPXOLPCF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCNC1CCCCC1
Isomeric Smiles
C(=O)(CCNC1CCCCC1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7528545
LogD (pH = 7.4)
-1.0675249
Log P
1.4672822
Molar Refractivity
51.2607
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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