Molecule

ID:47694

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₃
Molecular Mass
205.29936
Exact Mass
205.15789762
Charge
0
InChI
InChI=1S/C12H19N3/c1-10-3-4-12(11(13)9-10)15-7-5-14(2)6-8-15/h3-4,9H,5-8,13H2,1-2H3
InChIKey
MDPCCBRUVCKNEY-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ccc(cc1N)C
Isomeric Smiles
N1(c2c(cc(cc2)C)N)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.72398156
LogD (pH = 7.4)
1.025398
Log P
1.6129047
Molar Refractivity
66.2783
Polarizability
24.392347
Polar Surface Area
32.5
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