Molecule

ID:101206

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N₃
Molecular Mass
201.2676
Exact Mass
201.1265975
Charge
0
InChI
InChI=1S/C12H15N3/c1-14-5-7-15(8-6-14)12-4-2-3-11(9-12)10-13/h2-4,9H,5-8H2,1H3
InChIKey
OLELRAIMBYZQJO-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)N1CCN(CC1)C
Isomeric Smiles
N1(c2cc(C#N)ccc2)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.4601803
LogD (pH = 7.4)
1.2626667
Log P
1.7845055
Molar Refractivity
62.2583
Polarizability
23.31216
Polar Surface Area
30.27
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