Molecule

ID:683

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₅NO₂
Molecular Mass
309.4867
Exact Mass
309.26677937
Charge
0
InChI
InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
InChIKey
CURUTKGFNZGFSE-UHFFFAOYSA-N
Canonic Smiles
CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC
Isomeric Smiles
O(C(=O)C1(C2CCCCC2)CCCCC1)CCN(CC)CC
Calculated Properties
JChem
LogD (pH = 7.4)
3.36
LogD (pH = 5.5)
1.75
Log P
4.93
Rotatable Bonds
8
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.96
Polar Surface Area
29.54
Polarizability
37.96
Molar Refractivity
91.78
LOG S
-5.15
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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