Molecule

ID:63500

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₂
Molecular Mass
239.3538
Exact Mass
239.18852905
Charge
0
InChI
InChI=1S/C14H25NO2/c1-5-6-7-12-8-10-15(11-9-12)13(16)17-14(2,3)4/h7H,5-6,8-11H2,1-4H3
InChIKey
YKBHFSWRSVCBCN-UHFFFAOYSA-N
Canonic Smiles
CCCC=C1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(=CCCC)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1558263
LogD (pH = 7.4)
3.1558263
Log P
3.1558263
Molar Refractivity
71.0321
Polarizability
27.443905
Polar Surface Area
29.54
Rotatable Bonds
4
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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