Molecule

ID:69349

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈F₆N₆OP₂
Molecular Mass
520.3924612
Exact Mass
520.17040213
Charge
0
InChI
InChI=1S/C18H28N6OP.F6P/c1-2-10-18-17(9-1)19-20-24(18)25-26(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23;1-7(2,3,4,5)6/h1-2,9-10H,3-8,11-16H2;/q+1;-1
InChIKey
VIAFLMPQBHAMLI-UHFFFAOYSA-N
Canonic Smiles
C1CCN(C1)[P+](N1CCCC1)(N1CCCC1)On1nnc2c1cccc2.F[P-](F)(F)(F)(F)F
Isomeric Smiles
[P+](N1CCCC1)(N1CCCC1)(N1CCCC1)On1nnc2c1cccc2.[P-](F)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
0.6112976
LogD (pH = 7.4)
0.61129856
Log P
0.6112986
Molar Refractivity
114.746
Polarizability
42.034912
Polar Surface Area
49.66
Rotatable Bonds
5
Lipinski's Rule of Five
false
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
References
Bioactivity
Navigation