Molecule

ID:89494

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N₃
Molecular Mass
253.34216
Exact Mass
253.15789762
Charge
0
InChI
InChI=1S/C16H19N3/c17-14-6-8-16(9-7-14)19-12-10-18(11-13-19)15-4-2-1-3-5-15/h1-9H,10-13,17H2
InChIKey
TVBJVJRUQPPRJS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)c1ccccc1
Isomeric Smiles
N1(c2ccccc2)CCN(c2ccc(cc2)N)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4469695
LogD (pH = 7.4)
2.9770722
Log P
2.9906034
Molar Refractivity
81.7356
Polarizability
30.009388
Polar Surface Area
32.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
Bioactivity
Navigation