Molecule

ID:18744

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO₂
Molecular Mass
219.27958
Exact Mass
219.12592879
Charge
0
InChI
InChI=1S/C13H17NO2/c15-11-12-5-1-2-6-13(12)16-10-9-14-7-3-4-8-14/h1-2,5-6,11H,3-4,7-10H2
InChIKey
NGJNGIWUXGFOJB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCCN1CCCC1
Isomeric Smiles
N1(CCOc2c(C=O)cccc2)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.5538659
LogD (pH = 7.4)
1.2142965
Log P
1.9525189
Molar Refractivity
64.6653
Polarizability
24.746428
Polar Surface Area
29.54
Rotatable Bonds
5
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