Molecule

ID:84187

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N
Molecular Mass
177.28596
Exact Mass
177.15174961
Charge
0
InChI
InChI=1S/C12H19N/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,13H2,1-5H3
InChIKey
CHHGWEBJQVWINZ-UHFFFAOYSA-N
Canonic Smiles
Nc1c(C)cc(cc1C)C(C)(C)C
Isomeric Smiles
Nc1c(cc(cc1C)C(C)(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.677131
LogD (pH = 7.4)
3.715704
Log P
3.716219
Molar Refractivity
59.5067
Polarizability
22.33216
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
Navigation