Molecule
ID:16173
General Information
Molecular Formula
C₁₃H₂₁NO
Molecular Mass
207.31194
Exact Mass
207.1623143
Charge
0
InChI
InChI=1S/C13H21NO/c1-2-3-4-5-6-10-15-13-9-7-8-12(14)11-13/h7-9,11H,2-6,10,14H2,1H3
InChIKey
VSFAKKBYARHVMZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1cccc(c1)N
Isomeric Smiles
c1c(N)cccc1OCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.630081
LogD (pH = 7.4)
3.6440723
Log P
3.6442535
Molar Refractivity
64.8982
Polarizability
25.057016
Polar Surface Area
35.25
Rotatable Bonds
7
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...