Molecule
ID:81162
General Information
Molecular Formula
C₈H₁₃N
Molecular Mass
123.19552
Exact Mass
123.10479942
Charge
0
InChI
InChI=1S/C8H13N/c1-8(2,3)9-6-4-5-7-9/h4-7H,1-3H3
InChIKey
GJIRIQBRSTYPSF-UHFFFAOYSA-N
Canonic Smiles
CC(n1cccc1)(C)C
Isomeric Smiles
n1(C(C)(C)C)cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3307657
LogD (pH = 7.4)
2.3307657
Log P
2.3307657
Molar Refractivity
39.5191
Polarizability
15.345986
Polar Surface Area
4.93
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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...