Molecule

ID:28950

General Information
Structure
MolImage
Molecular Formula
C₂₉H₅₃NO
Molecular Mass
431.73722
Exact Mass
431.41271532
Charge
0
InChI
InChI=1S/C29H53NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-24-30-25-27(4)31-29-23-20-19-22-28(29)26(3)6-2/h19-20,22-23,26-27,30H,5-18,21,24-25H2,1-4H3
InChIKey
XWWTVMGSPSROHZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCNCC(Oc1ccccc1C(CC)C)C
Isomeric Smiles
c1(c(C(CC)C)cccc1)OC(CNCCCCCCCCCCCCCCCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.002688
LogD (pH = 7.4)
7.780385
Log P
10.216047
Molar Refractivity
137.5418
Polarizability
54.92367
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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