Molecule

ID:77742

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N
Molecular Mass
177.28596
Exact Mass
177.15174961
Charge
0
InChI
InChI=1S/C12H19N/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9H,13H2,1-4H3/t9-/m0/s1
InChIKey
HZUDLUBTTHIVTP-VIFPVBQESA-N
Canonic Smiles
C[C@@H](c1ccc(cc1)C(C)(C)C)N
Isomeric Smiles
N[C@H](c1ccc(cc1)C(C)(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.05267709
LogD (pH = 7.4)
0.78454924
Log P
3.0606456
Molar Refractivity
57.6161
Polarizability
22.899282
Polar Surface Area
26.02
Rotatable Bonds
2
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