Molecule
ID:72227
General Information
Molecular Formula
C₁₂H₂₁NO
Molecular Mass
195.30124
Exact Mass
195.1623143
Charge
0
InChI
InChI=1S/C12H21NO/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8,13H2
InChIKey
SSMRLTOOLLVHLW-UHFFFAOYSA-N
Canonic Smiles
NCCOC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(CC3CC(C2)CC(C1)C3)OCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5640398
LogD (pH = 7.4)
-0.58768433
Log P
1.418972
Molar Refractivity
56.5791
Polarizability
22.865683
Polar Surface Area
35.25
Rotatable Bonds
3
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...