Molecule

ID:29649

General Information
Structure
MolImage
Molecular Formula
C₂₈H₃₅NO₃
Molecular Mass
433.5824
Exact Mass
433.26169399
Charge
0
InChI
InChI=1S/C28H35NO3/c1-2-3-4-5-11-19-30-27-17-12-14-25(22-27)29-23-24-13-9-10-18-28(24)32-21-20-31-26-15-7-6-8-16-26/h6-10,12-18,22,29H,2-5,11,19-21,23H2,1H3
InChIKey
OOZPCTJFCHVOQI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1cccc(c1)NCc1ccccc1OCCOc1ccccc1
Isomeric Smiles
c1(CNc2cc(OCCCCCCC)ccc2)c(OCCOc2ccccc2)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
7.153547
LogD (pH = 7.4)
7.156768
Log P
7.1568093
Molar Refractivity
132.0196
Polarizability
51.137257
Polar Surface Area
39.72
Rotatable Bonds
15
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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