Molecule

ID:2201

General Information
Structure
Loading...
Molecular Formula
C₂₁H₃₆FO₂P
Molecular Mass
370.4815042
Exact Mass
370.24369524
Charge
0
InChI
InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7+,11-10+,14-13+,17-16+/t25-/m1/s1
InChIKey
KWKZCGMJGHHOKJ-PDXKBQATSA-N
Canonic Smiles
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC[P@@](=O)(OC)F
Isomeric Smiles
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC[P@](=O)(F)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.826752
LogD (pH = 7.4)
6.826752
Log P
6.826752
Molar Refractivity
112.6768
Polarizability
42.10538
Polar Surface Area
26.3
Rotatable Bonds
16
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
6.87
LOG S
-5.99
Solubility (Water)
3.80e-04 g/l
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
Loading...
References
Loading...
Bioactivity
Loading...