Molecule

ID:23478

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₂
Molecular Mass
326.43264
Exact Mass
326.19942808
Charge
0
InChI
InChI=1S/C20H26N2O2/c1-5-13(2)17-8-6-7-9-19(17)24-15(4)20(23)22-18-12-16(21)11-10-14(18)3/h6-13,15H,5,21H2,1-4H3,(H,22,23)
InChIKey
JLTPMIAKJUHDCJ-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OC(C(=O)Nc1cc(N)ccc1C)C)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1C)C(Oc1c(C(CC)C)cccc1)C
Calculated Properties
JChem
Acid pKa
12.77823
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.6463075
LogD (pH = 7.4)
4.6703796
Log P
4.670697
Molar Refractivity
99.9104
Polarizability
37.520744
Polar Surface Area
64.35
Rotatable Bonds
6
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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