Molecule

ID:77009

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₃
Molecular Mass
217.31006
Exact Mass
217.15789762
Charge
0
InChI
InChI=1S/C13H19N3/c1-2-7-15-8-10-16(11-9-15)13-5-3-12(14)4-6-13/h2-6H,1,7-11,14H2
InChIKey
MNOIEMTYMZVMIQ-UHFFFAOYSA-N
Canonic Smiles
C=CCN1CCN(CC1)c1ccc(cc1)N
Isomeric Smiles
N1(c2ccc(cc2)N)CCN(CC=C)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.69504625
LogD (pH = 7.4)
1.3465551
Log P
1.8307332
Molar Refractivity
70.3998
Polarizability
26.081358
Polar Surface Area
32.5
Rotatable Bonds
3
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