Molecule

ID:135682

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉BF₄N₂
Molecular Mass
242.0651728
Exact Mass
242.1577419
Charge
0
InChI
InChI=1S/C9H19N2.BF4/c1-8(2)10-5-6-11(7-10)9(3)4;2-1(3,4)5/h7-9H,5-6H2,1-4H3;/q+1;-1
InChIKey
MRUAIISBFNRJSL-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.CC(N1CC[N+](=C1)C(C)C)C
Isomeric Smiles
[B-](F)(F)(F)F.CC(C)N1CC[N+](=C1)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.3871226
LogD (pH = 7.4)
-2.3871226
Log P
-2.3871226
Molar Refractivity
59.598
Polarizability
18.734465
Polar Surface Area
6.25
Rotatable Bonds
2
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