Molecule

ID:14824

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₂
Molecular Mass
255.31168
Exact Mass
255.12592879
Charge
0
InChI
InChI=1S/C16H17NO2/c1-2-6-13(7-3-1)10-17-11-14-12-18-15-8-4-5-9-16(15)19-14/h1-9,14,17H,10-12H2
InChIKey
GQHPQUJGTWIWHZ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CNCC1COc2c(O1)cccc2
Isomeric Smiles
c12c(OCC(O1)CNCc1ccccc1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.14395097
LogD (pH = 7.4)
1.3081006
Log P
2.9062152
Molar Refractivity
74.0226
Polarizability
29.451612
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