Molecule

ID:29676

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₅NO₃
Molecular Mass
397.5503
Exact Mass
397.26169399
Charge
0
InChI
InChI=1S/C25H35NO3/c1-4-19(3)24-13-6-7-14-25(24)29-21(5-2)17-26-20-10-8-11-22(16-20)28-18-23-12-9-15-27-23/h6-8,10-11,13-14,16,19,21,23,26H,4-5,9,12,15,17-18H2,1-3H3
InChIKey
IYBGVARKKAWXKX-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccccc1C(CC)C)CNc1cccc(c1)OCC1CCCO1
Isomeric Smiles
c1(c(C(CC)C)cccc1)OC(CNc1cc(OCC2OCCC2)ccc1)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.9719195
LogD (pH = 7.4)
5.979568
Log P
5.9796667
Molar Refractivity
119.2565
Polarizability
46.255455
Polar Surface Area
39.72
Rotatable Bonds
11
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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