Molecule

ID:21559

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O
Molecular Mass
218.29482
Exact Mass
218.14191321
Charge
0
InChI
InChI=1S/C13H18N2O/c14-12-8-4-3-7-11(12)13(16)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10,14H2
InChIKey
IYVSAXXHASZZBO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1C(=O)N1CCCCCC1
Isomeric Smiles
C(=O)(c1c(N)cccc1)N1CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.386238
LogD (pH = 7.4)
2.3872344
Log P
2.387247
Molar Refractivity
66.3732
Polarizability
24.619951
Polar Surface Area
46.33
Rotatable Bonds
1
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