Molecule
ID:26210
General Information
Molecular Formula
C₁₂H₁₉N
Molecular Mass
177.28596
Exact Mass
177.15174961
Charge
0
InChI
InChI=1S/C12H19N/c1-4-9(2)11-5-7-12(8-6-11)10(3)13/h5-10H,4,13H2,1-3H3
InChIKey
RNODDJQLVDOMIX-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)C(N)C)C
Isomeric Smiles
c1(ccc(cc1)C(CC)C)C(N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.19699702
LogD (pH = 7.4)
0.9261176
Log P
3.205167
Molar Refractivity
57.742
Polarizability
22.899984
Polar Surface Area
26.02
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...