Molecule
ID:84189
General Information
Molecular Formula
C₁₃H₁₇N₃
Molecular Mass
215.29418
Exact Mass
215.14224756
Charge
0
InChI
InChI=1S/C13H17N3/c1-10-8-11(2)15-13(12(10)9-14)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3
InChIKey
OLHKLHAYGDRNHV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(C)cc(nc1N1CCCCC1)C
Isomeric Smiles
n1c(c(c(cc1C)C)C#N)N1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.763187
LogD (pH = 7.4)
2.8087153
Log P
2.8093286
Molar Refractivity
66.1395
Polarizability
24.409878
Polar Surface Area
39.92
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...