Molecule

ID:28703

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-4-20-16-11-9-15(10-12-16)13-19-17-7-5-6-8-18(17)21-14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKey
YWOMHCOZUZOZCZ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CNc1ccccc1OC(C)C
Isomeric Smiles
c1(OC(C)C)c(NCc2ccc(cc2)OCC)cccc1
Calculated Properties
JChem
Acid pKa
18.993408
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.9624548
LogD (pH = 7.4)
3.9850497
Log P
3.9853454
Molar Refractivity
87.7068
Polarizability
33.480793
Polar Surface Area
30.49
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation