Molecule

ID:12736

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅NO₂
Molecular Mass
311.418
Exact Mass
311.18852905
Charge
0
InChI
InChI=1S/C20H25NO2/c22-20(23)19-15-11-7-5-3-1-2-4-6-8-13-17(15)21-18-14-10-9-12-16(18)19/h9-10,12,14H,1-8,11,13H2,(H,22,23)
InChIKey
SYYRWJCJTOMUDF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c2CCCCCCCCCCc2nc2c1cccc2
Isomeric Smiles
C1CCCCc2c(CCCCC1)c(c1c(n2)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7879825
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.8643699
LogD (pH = 7.4)
2.4321473
Log P
5.4100194
Molar Refractivity
91.8999
Polarizability
36.831306
Polar Surface Area
50.19
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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