Molecule

ID:128504

General Information
Structure
MolImage
Molecular Formula
C₂₈H₄₁NO₃
Molecular Mass
439.63004
Exact Mass
439.30864418
Charge
0
InChI
InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-
InChIKey
MVVPIAAVGAWJNQ-DOFZRALJSA-N
Canonic Smiles
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(c(c1)O)O
Isomeric Smiles
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1cc(c(cc1)O)O
Calculated Properties
JChem
Acid pKa
9.2869005
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
7.409837
LogD (pH = 7.4)
7.404346
Log P
7.409908
Molar Refractivity
140.0023
Polarizability
52.329502
Polar Surface Area
69.56
Rotatable Bonds
17
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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