Molecule

ID:28910

General Information
Structure
MolImage
Molecular Formula
C₂₈H₅₁NO
Molecular Mass
417.71064
Exact Mass
417.39706526
Charge
0
InChI
InChI=1S/C28H51NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-29-25-27-20-17-18-21-28(27)30-24-22-26(2)3/h17-18,20-21,26,29H,4-16,19,22-25H2,1-3H3
InChIKey
KKNZUBXSCICZKC-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCNCc1ccccc1OCCC(C)C
Isomeric Smiles
c1(c(OCCC(C)C)cccc1)CNCCCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.5022764
LogD (pH = 7.4)
7.7338953
Log P
9.643564
Molar Refractivity
133.277
Polarizability
53.154003
Polar Surface Area
21.26
Rotatable Bonds
21
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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