Molecule

ID:29072

General Information
Structure
Molecular Formula
C₂₀H₃₃NO
Molecular Mass
303.48212
Exact Mass
303.25621468
Charge
0
InChI
InChI=1S/C20H33NO/c1-4-16(3)19-13-9-10-14-20(19)22-18(5-2)15-21-17-11-7-6-8-12-17/h9-10,13-14,16-18,21H,4-8,11-12,15H2,1-3H3
InChIKey
LZOMMCGEERXUJD-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccccc1C(CC)C)CNC1CCCCC1
Isomeric Smiles
c1(c(C(CC)C)cccc1)OC(CNC1CCCCC1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6547446
LogD (pH = 7.4)
3.2693925
Log P
5.879117
Molar Refractivity
93.9944
Polarizability
37.56082
Polar Surface Area
21.26
Rotatable Bonds
8
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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