Molecule

ID:20882

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉NO₂
Molecular Mass
269.33826
Exact Mass
269.14157885
Charge
0
InChI
InChI=1S/C17H19NO2/c1-2-5-14(6-3-1)19-15-8-10-16(11-9-15)20-17-7-4-12-18-13-17/h1-3,5-6,8-11,17-18H,4,7,12-13H2
InChIKey
JLOHZNPPAVOVTQ-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)Oc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
N1CC(Oc2ccc(Oc3ccccc3)cc2)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.24745937
LogD (pH = 7.4)
1.3598504
Log P
3.417023
Molar Refractivity
78.6976
Polarizability
31.355314
Polar Surface Area
30.49
Rotatable Bonds
4
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