Molecule

ID:29569

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-3-4-13-21-18-12-8-6-10-16(18)19-14-15-9-5-7-11-17(15)20-2/h5-12,19H,3-4,13-14H2,1-2H3
InChIKey
CYMLGPDRIGOAPP-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccccc1NCc1ccccc1OC
Isomeric Smiles
N(Cc1c(OC)cccc1)c1c(OCCCC)cccc1
Calculated Properties
JChem
Acid pKa
18.820107
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.1597924
LogD (pH = 7.4)
4.178806
Log P
4.1790533
Molar Refractivity
87.6644
Polarizability
33.48135
Polar Surface Area
30.49
Rotatable Bonds
8
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