Molecule

ID:29652

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₅NO₃
Molecular Mass
385.5396
Exact Mass
385.26169399
Charge
0
InChI
InChI=1S/C24H35NO3/c1-3-5-6-7-10-16-27-23-14-11-13-22(19-23)25-20-21-12-8-9-15-24(21)28-18-17-26-4-2/h8-9,11-15,19,25H,3-7,10,16-18,20H2,1-2H3
InChIKey
HERLBHGYKSRISZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1cccc(c1)NCc1ccccc1OCCOCC
Isomeric Smiles
c1(CNc2cc(OCCCCCCC)ccc2)c(OCCOCC)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.8193297
LogD (pH = 7.4)
5.822551
Log P
5.822592
Molar Refractivity
117.2595
Polarizability
45.22033
Polar Surface Area
39.72
Rotatable Bonds
15
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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