Molecule

ID:20787

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃NO₂
Molecular Mass
297.39142
Exact Mass
297.17287898
Charge
0
InChI
InChI=1S/C19H23NO2/c1-2-4-16(5-3-1)14-21-18-6-8-19(9-7-18)22-15-17-10-12-20-13-11-17/h1-9,17,20H,10-15H2
InChIKey
QBVYAJIMGHTLOC-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
N1CCC(COc2ccc(OCc3ccccc3)cc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.25531447
LogD (pH = 7.4)
0.71608526
Log P
3.4867353
Molar Refractivity
88.5714
Polarizability
34.983818
Polar Surface Area
30.49
Rotatable Bonds
6
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