Molecule

ID:29428

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₅NO₂
Molecular Mass
369.5402
Exact Mass
369.26677937
Charge
0
InChI
InChI=1S/C24H35NO2/c1-6-19(5)23-13-8-9-14-24(23)27-21(7-2)16-25-20-11-10-12-22(15-20)26-17-18(3)4/h8-15,18-19,21,25H,6-7,16-17H2,1-5H3
InChIKey
OEXTVLGJKMOKSN-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccccc1C(CC)C)CNc1cccc(c1)OCC(C)C
Isomeric Smiles
c1(c(C(CC)C)cccc1)OC(CNc1cc(OCC(C)C)ccc1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.7975698
LogD (pH = 7.4)
6.8052816
Log P
6.805381
Molar Refractivity
114.746
Polarizability
44.47904
Polar Surface Area
30.49
Rotatable Bonds
11
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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