Molecule

ID:97795

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃BF₄N₂
Molecular Mass
270.1183328
Exact Mass
270.18904203
Charge
0
InChI
InChI=1S/C11H23N2.BF4/c1-10(2,3)12-7-8-13(9-12)11(4,5)6;2-1(3,4)5/h9H,7-8H2,1-6H3;/q+1;-1
InChIKey
UWHWVDXEPKIADD-UHFFFAOYSA-N
Canonic Smiles
CC(N1CC[N+](=C1)C(C)(C)C)(C)C.F[B-](F)(F)F
Isomeric Smiles
[N+]1(=CN(CC1)C(C)(C)C)C(C)(C)C.[B-](F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.8259692
LogD (pH = 7.4)
-1.8259692
Log P
-1.8259692
Molar Refractivity
68.8744
Polarizability
22.424889
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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