Molecule
ID:29566
General Information
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-3-5-11-15-13-9-7-8-10-14(13)16-12-6-4-2/h7-10,15H,3-6,11-12H2,1-2H3
InChIKey
CIIMSKHNGXEMSO-UHFFFAOYSA-N
Canonic Smiles
CCCCNc1ccccc1OCCCC
Isomeric Smiles
c1(c(OCCCC)cccc1)NCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.645676
LogD (pH = 7.4)
3.9309633
Log P
3.9361508
Molar Refractivity
70.4622
Polarizability
26.90313
Polar Surface Area
21.26
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...